(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'}

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Related Compounds

3,7-Octadien-2-ol, 2-methyl-6-methylene-, (E)-
CID 5363351
3,7-Dimethyl-4,6-octadien-3-ol
CID 86750
trans-Ocimenol
CID 6430998
(3E,5E)-2,6-dimethylocta-3,5,7-trien-2-ol
CID 5363695
CID 154734787
CID 154734787
2-Methyl-3-penten-2-ol
CID 112680
(4E,6E)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol
CID 10176834
2-Methyl-6-methylene-oct-3,7-dien-2-ol
CID 81478
3,5,7-Octatrien-2-ol, 2,6-dimethyl-
CID 538933
(E)-2-methylpent-3-en-2-ol
CID 5463399
(Z,Z)-2,6-Dimethyl-3,5,7-octatrien-2-ol
CID 5363692
3,5-Octadien-2-ol, 2,6-dimethyl-, (5Z)-
CID 6436462

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).