2-cyclohept-4-en-1-ylethanol

C9H16O — CID 123466891

IUPAC2-cyclohept-4-en-1-ylethanol
SMILESOCCC1CCC=CCC1
InChIInChI=1S/C9H16O/c10-8-7-9-5-3-1-2-4-6-9/h1-2,9-10H,3-8H2
InChIKeyRMUBKSJYSGXYRT-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds2

About 2-cyclohept-4-en-1-ylethanol

2-cyclohept-4-en-1-ylethanol (PubChem CID 123466891) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-cyclohept-4-en-1-ylethanol.

Molecular Properties

Compound Name2-cyclohept-4-en-1-ylethanol
PubChem CID123466891
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-cyclohept-4-en-1-ylethanol
SMILESOCCC1CCC=CCC1
InChIInChI=1S/C9H16O/c10-8-7-9-5-3-1-2-4-6-9/h1-2,9-10H,3-8H2
InChIKeyRMUBKSJYSGXYRT-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohept-4-en-1-ylethanol?
The IUPAC name of 2-cyclohept-4-en-1-ylethanol (CID 123466891) is 2-cyclohept-4-en-1-ylethanol.
What is the SMILES notation for 2-cyclohept-4-en-1-ylethanol?
The canonical SMILES for 2-cyclohept-4-en-1-ylethanol is OCCC1CCC=CCC1.
What is the InChIKey of 2-cyclohept-4-en-1-ylethanol?
The InChIKey is RMUBKSJYSGXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-8-7-9-5-3-1-2-4-6-9/h1-2,9-10H,3-8H2.
What are the key properties of 2-cyclohept-4-en-1-ylethanol?
2-cyclohept-4-en-1-ylethanol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohept-4-en-1-ylethanol is sourced from PubChem (CID 123466891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).