(2Z)-octa-2,7-dien-3-ol

C8H14O — CID 11116072

IUPAC(2Z)-octa-2,7-dien-3-ol
SMILESC=CCCC/C(O)=C/C
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,9H,1,5-7H2,2H3/b8-4-
InChIKeyZCKBZKZJDFBSRR-YWEYNIOJSA-N
MW126.20 g/mol
LogP2.80
Rot. Bonds4

About (2Z)-octa-2,7-dien-3-ol

(2Z)-octa-2,7-dien-3-ol (PubChem CID 11116072) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2Z)-octa-2,7-dien-3-ol.

Molecular Properties

Compound Name(2Z)-octa-2,7-dien-3-ol
PubChem CID11116072
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2Z)-octa-2,7-dien-3-ol
SMILESC=CCCC/C(O)=C/C
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,9H,1,5-7H2,2H3/b8-4-
InChIKeyZCKBZKZJDFBSRR-YWEYNIOJSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z)-octa-2,7-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-hexadeca-3,15-dien-4-ol
CID 154698399
(3E)-3-ethylideneoct-7-enoic acid
CID 22672889
(6E)-6-ethylidenedec-1-ene
CID 173031906
ethene;octa-1,7-diene;prop-1-ene
CID 54599064
(6E)-6,7-dimethylnona-1,6-diene
CID 22676542
11-methyltrideca-1,11-diene
CID 139774754
(Z)-pentadec-2-en-3-ol
CID 141060609
hepta-1,6-diene-2-thiol
CID 150042707
non-8-en-4-one
CID 11137251
7-ethylnona-1,7-diene
CID 54551079
hex-5-enethioamide
CID 88640967
acetic acid;acetyl hex-5-enoate
CID 174849963

Frequently Asked Questions

What is the IUPAC name of (2Z)-octa-2,7-dien-3-ol?
The IUPAC name of (2Z)-octa-2,7-dien-3-ol (CID 11116072) is (2Z)-octa-2,7-dien-3-ol.
What is the SMILES notation for (2Z)-octa-2,7-dien-3-ol?
The canonical SMILES for (2Z)-octa-2,7-dien-3-ol is C=CCCC/C(O)=C/C.
What is the InChIKey of (2Z)-octa-2,7-dien-3-ol?
The InChIKey is ZCKBZKZJDFBSRR-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,9H,1,5-7H2,2H3/b8-4-.
What are the key properties of (2Z)-octa-2,7-dien-3-ol?
(2Z)-octa-2,7-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-octa-2,7-dien-3-ol is sourced from PubChem (CID 11116072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).