(3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol

C9H13ClO — CID 169205987

IUPAC(3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol
SMILESC=C/C(=C\C(Cl)=C/C)CCO
InChIInChI=1S/C9H13ClO/c1-3-8(5-6-11)7-9(10)4-2/h3-4,7,11H,1,5-6H2,2H3/b8-7+,9-4+
InChIKeyCBVZVVQSOREDMC-UQZXCRFKSA-N
MW172.65 g/mol
LogP2.62
Rot. Bonds4

About (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol

(3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol (PubChem CID 169205987) has the molecular formula C9H13ClO and a molecular weight of 172.65 g/mol. Its IUPAC name is (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol
PubChem CID169205987
Molecular FormulaC9H13ClO
Molecular Weight172.65 g/mol
Exact Mass172.07
IUPAC Name(3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol
SMILESC=C/C(=C\C(Cl)=C/C)CCO
InChIInChI=1S/C9H13ClO/c1-3-8(5-6-11)7-9(10)4-2/h3-4,7,11H,1,5-6H2,2H3/b8-7+,9-4+
InChIKeyCBVZVVQSOREDMC-UQZXCRFKSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.65
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-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

(3E,5E)-5-chloro-3-ethenyl-2-methylhepta-1,3,5-triene
CID 144627695
(3Z,5E)-5-chloro-3-ethenylhepta-1,3,5-trien-2-amine
CID 144617687
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol
CID 143822245
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614
[(3E,5E)-5-chlorohepta-1,3,5-trien-3-yl] cyanate
CID 145116854
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
(3E)-3-(chloromethyl)penta-1,3-diene;ethane;prop-1-ene
CID 144532054
(3E)-2,4-dichlorohexa-1,3,5-triene
CID 135244862
3-ethylideneoct-1-ene
CID 91511297
(E)-2-ethenylbut-2-en-1-amine
CID 142131613

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol?
The IUPAC name of (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol (CID 169205987) is (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol is C=C/C(=C\C(Cl)=C/C)CCO.
What is the InChIKey of (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol?
The InChIKey is CBVZVVQSOREDMC-UQZXCRFKSA-N. The full InChI is InChI=1S/C9H13ClO/c1-3-8(5-6-11)7-9(10)4-2/h3-4,7,11H,1,5-6H2,2H3/b8-7+,9-4+.
What are the key properties of (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol?
(3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol has a molecular weight of 172.65 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-chloro-3-ethenylhepta-3,5-dien-1-ol is sourced from PubChem (CID 169205987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).