4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol

C10H14O — CID 118691391

IUPAC4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol
SMILESOCCCC=C1C=CC=CC1
InChIInChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6,8,11H,4-5,7,9H2
InChIKeyJPCHIIOQRGXNDR-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.20
Rot. Bonds3

About 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol

4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol (PubChem CID 118691391) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol
PubChem CID118691391
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol
SMILESOCCCC=C1C=CC=CC1
InChIInChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6,8,11H,4-5,7,9H2
InChIKeyJPCHIIOQRGXNDR-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol?
The IUPAC name of 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol (CID 118691391) is 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol is OCCCC=C1C=CC=CC1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol?
The InChIKey is JPCHIIOQRGXNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6,8,11H,4-5,7,9H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol?
4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-ylidenebutan-1-ol is sourced from PubChem (CID 118691391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).