2-cyclohexa-1,4-dien-1-yloxyethanol

C8H12O2 — CID 57232312

IUPAC2-cyclohexa-1,4-dien-1-yloxyethanol
SMILESOCCOC1=CCC=CC1
InChIInChI=1S/C8H12O2/c9-6-7-10-8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7H2
InChIKeyAXUZNEBSPYATGZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.23
Rot. Bonds3

About 2-cyclohexa-1,4-dien-1-yloxyethanol

2-cyclohexa-1,4-dien-1-yloxyethanol (PubChem CID 57232312) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-cyclohexa-1,4-dien-1-yloxyethanol.

Molecular Properties

Compound Name2-cyclohexa-1,4-dien-1-yloxyethanol
PubChem CID57232312
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-cyclohexa-1,4-dien-1-yloxyethanol
SMILESOCCOC1=CCC=CC1
InChIInChI=1S/C8H12O2/c9-6-7-10-8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7H2
InChIKeyAXUZNEBSPYATGZ-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,4-dien-1-yloxyethanol?
The IUPAC name of 2-cyclohexa-1,4-dien-1-yloxyethanol (CID 57232312) is 2-cyclohexa-1,4-dien-1-yloxyethanol.
What is the SMILES notation for 2-cyclohexa-1,4-dien-1-yloxyethanol?
The canonical SMILES for 2-cyclohexa-1,4-dien-1-yloxyethanol is OCCOC1=CCC=CC1.
What is the InChIKey of 2-cyclohexa-1,4-dien-1-yloxyethanol?
The InChIKey is AXUZNEBSPYATGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-6-7-10-8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 2-cyclohexa-1,4-dien-1-yloxyethanol?
2-cyclohexa-1,4-dien-1-yloxyethanol has a molecular weight of 140.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,4-dien-1-yloxyethanol is sourced from PubChem (CID 57232312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).