(3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol

C14H18O — CID 134885142

IUPAC(3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol
SMILESCC(O)/C=C/C#CC=C=C1CCCCC1
InChIInChI=1S/C14H18O/c1-13(15)9-5-2-3-6-10-14-11-7-4-8-12-14/h5-6,9,13,15H,4,7-8,11-12H2,1H3/b9-5+
InChIKeyLLIMUGMXPHNWRQ-WEVVVXLNSA-N
MW202.30 g/mol
LogP2.97
Rot. Bonds1

About (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol

(3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol (PubChem CID 134885142) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol.

Molecular Properties

Compound Name(3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol
PubChem CID134885142
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol
SMILESCC(O)/C=C/C#CC=C=C1CCCCC1
InChIInChI=1S/C14H18O/c1-13(15)9-5-2-3-6-10-14-11-7-4-8-12-14/h5-6,9,13,15H,4,7-8,11-12H2,1H3/b9-5+
InChIKeyLLIMUGMXPHNWRQ-WEVVVXLNSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol?
The IUPAC name of (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol (CID 134885142) is (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol.
What is the SMILES notation for (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol?
The canonical SMILES for (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol is CC(O)/C=C/C#CC=C=C1CCCCC1.
What is the InChIKey of (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol?
The InChIKey is LLIMUGMXPHNWRQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H18O/c1-13(15)9-5-2-3-6-10-14-11-7-4-8-12-14/h5-6,9,13,15H,4,7-8,11-12H2,1H3/b9-5+.
What are the key properties of (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol?
(3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol has a molecular weight of 202.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-cyclohexylideneocta-3,7-dien-5-yn-2-ol is sourced from PubChem (CID 134885142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).