4-ethylcyclohept-4-en-1-ol

C9H16O — CID 91248239

IUPAC4-ethylcyclohept-4-en-1-ol
SMILESCCC1=CCCC(O)CC1
InChIInChI=1S/C9H16O/c1-2-8-4-3-5-9(10)7-6-8/h4,9-10H,2-3,5-7H2,1H3
InChIKeyQAOLNIHFMROGRE-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds1

About 4-ethylcyclohept-4-en-1-ol

4-ethylcyclohept-4-en-1-ol (PubChem CID 91248239) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethylcyclohept-4-en-1-ol.

Molecular Properties

Compound Name4-ethylcyclohept-4-en-1-ol
PubChem CID91248239
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-ethylcyclohept-4-en-1-ol
SMILESCCC1=CCCC(O)CC1
InChIInChI=1S/C9H16O/c1-2-8-4-3-5-9(10)7-6-8/h4,9-10H,2-3,5-7H2,1H3
InChIKeyQAOLNIHFMROGRE-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
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 4-ethylcyclohept-4-en-1-ol?
The IUPAC name of 4-ethylcyclohept-4-en-1-ol (CID 91248239) is 4-ethylcyclohept-4-en-1-ol.
What is the SMILES notation for 4-ethylcyclohept-4-en-1-ol?
The canonical SMILES for 4-ethylcyclohept-4-en-1-ol is CCC1=CCCC(O)CC1.
What is the InChIKey of 4-ethylcyclohept-4-en-1-ol?
The InChIKey is QAOLNIHFMROGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-8-4-3-5-9(10)7-6-8/h4,9-10H,2-3,5-7H2,1H3.
What are the key properties of 4-ethylcyclohept-4-en-1-ol?
4-ethylcyclohept-4-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohept-4-en-1-ol is sourced from PubChem (CID 91248239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).