ISDA: 6PH7

Structural Complex

Chemical ID: NZZ

IUPAC Name: (2Z)-3,7-dimethylocta-2,6-dien-1-ol

Formal Charge: 0

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C10 H18 O

Molecular weight: 154.249

Hydrogen Bond Acceptor: 1

Hydrogen Bond Donor: 1

Rotatable Bonds: 8

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	(2Z)-3,7-dimethylocta-2,6-dien-1-ol
OpenEye OEToolkits	2.0.7	(2~{Z})-3,7-dimethylocta-2,6-dien-1-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C/C(C)=C/CCC(C)=[C@H]CO
InChI	InChI	1.03	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKey	InChI	1.03	GLZPCOQZEFWAFX-YFHOEESVSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)=CCC\C(C)=C/CO
SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CCO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=CCC/C(=C\CO)/C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(=CCCC(=CCO)C)C

Chemical Database Mapping