3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol

C13H22O — CID 89074143

IUPAC3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol
SMILESCCCC1C2C=CC(C2)C1CCCO
InChIInChI=1S/C13H22O/c1-2-4-12-10-6-7-11(9-10)13(12)5-3-8-14/h6-7,10-14H,2-5,8-9H2,1H3
InChIKeyGVHQKIJIRCEDAS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.00
Rot. Bonds5

About 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol

3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol (PubChem CID 89074143) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol
PubChem CID89074143
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol
SMILESCCCC1C2C=CC(C2)C1CCCO
InChIInChI=1S/C13H22O/c1-2-4-12-10-6-7-11(9-10)13(12)5-3-8-14/h6-7,10-14H,2-5,8-9H2,1H3
InChIKeyGVHQKIJIRCEDAS-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.00
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 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol?
The IUPAC name of 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol (CID 89074143) is 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol.
What is the SMILES notation for 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol?
The canonical SMILES for 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol is CCCC1C2C=CC(C2)C1CCCO.
What is the InChIKey of 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol?
The InChIKey is GVHQKIJIRCEDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-4-12-10-6-7-11(9-10)13(12)5-3-8-14/h6-7,10-14H,2-5,8-9H2,1H3.
What are the key properties of 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol?
3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)propan-1-ol is sourced from PubChem (CID 89074143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).