2-ethenylcycloheptan-1-ol

C9H16O — CID 101076742

IUPAC2-ethenylcycloheptan-1-ol
SMILESC=CC1CCCCCC1O
InChIInChI=1S/C9H16O/c1-2-8-6-4-3-5-7-9(8)10/h2,8-10H,1,3-7H2
InChIKeyCCSGYEIKDKZOEN-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds1

About 2-ethenylcycloheptan-1-ol

2-ethenylcycloheptan-1-ol (PubChem CID 101076742) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethenylcycloheptan-1-ol.

Molecular Properties

Compound Name2-ethenylcycloheptan-1-ol
PubChem CID101076742
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethenylcycloheptan-1-ol
SMILESC=CC1CCCCCC1O
InChIInChI=1S/C9H16O/c1-2-8-6-4-3-5-7-9(8)10/h2,8-10H,1,3-7H2
InChIKeyCCSGYEIKDKZOEN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-ethenylcycloheptan-1-ol?
The IUPAC name of 2-ethenylcycloheptan-1-ol (CID 101076742) is 2-ethenylcycloheptan-1-ol.
What is the SMILES notation for 2-ethenylcycloheptan-1-ol?
The canonical SMILES for 2-ethenylcycloheptan-1-ol is C=CC1CCCCCC1O.
What is the InChIKey of 2-ethenylcycloheptan-1-ol?
The InChIKey is CCSGYEIKDKZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-8-6-4-3-5-7-9(8)10/h2,8-10H,1,3-7H2.
What are the key properties of 2-ethenylcycloheptan-1-ol?
2-ethenylcycloheptan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcycloheptan-1-ol is sourced from PubChem (CID 101076742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).