(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol

C10H14O — CID 89113098

IUPAC(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol
SMILESC=CC(/C=C\C(=C)O)=C(C)C
InChIInChI=1S/C10H14O/c1-5-10(8(2)3)7-6-9(4)11/h5-7,11H,1,4H2,2-3H3/b7-6-
InChIKeyNVDRMCAXLNUSHR-SREVYHEPSA-N
MW150.22 g/mol
LogP3.14
Rot. Bonds3

About (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol

(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol (PubChem CID 89113098) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol
PubChem CID89113098
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol
SMILESC=CC(/C=C\C(=C)O)=C(C)C
InChIInChI=1S/C10H14O/c1-5-10(8(2)3)7-6-9(4)11/h5-7,11H,1,4H2,2-3H3/b7-6-
InChIKeyNVDRMCAXLNUSHR-SREVYHEPSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol (CID 89113098) is (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol is C=CC(/C=C\C(=C)O)=C(C)C.
What is the InChIKey of (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol?
The InChIKey is NVDRMCAXLNUSHR-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14O/c1-5-10(8(2)3)7-6-9(4)11/h5-7,11H,1,4H2,2-3H3/b7-6-.
What are the key properties of (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol?
(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol has a molecular weight of 150.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-ol is sourced from PubChem (CID 89113098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).