2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol

C10H16O — CID 174687461

IUPAC2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol
SMILESCC(CO)C1CC2=CCC1C2
InChIInChI=1S/C10H16O/c1-7(6-11)10-5-8-2-3-9(10)4-8/h2,7,9-11H,3-6H2,1H3
InChIKeySHGWTYNLBDGMBX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol

2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol (PubChem CID 174687461) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol
PubChem CID174687461
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol
SMILESCC(CO)C1CC2=CCC1C2
InChIInChI=1S/C10H16O/c1-7(6-11)10-5-8-2-3-9(10)4-8/h2,7,9-11H,3-6H2,1H3
InChIKeySHGWTYNLBDGMBX-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol (CID 174687461) is 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol is CC(CO)C1CC2=CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol?
The InChIKey is SHGWTYNLBDGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(6-11)10-5-8-2-3-9(10)4-8/h2,7,9-11H,3-6H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol?
2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-4-enyl)propan-1-ol is sourced from PubChem (CID 174687461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).