1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol

C13H20O3 — CID 23560920

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESOC(CCC1OCCO1)C1CC2C=CC1C2
InChIInChI=1S/C13H20O3/c14-12(3-4-13-15-5-6-16-13)11-8-9-1-2-10(11)7-9/h1-2,9-14H,3-8H2
InChIKeyKUIIAACIRZQKIM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 23560920) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
PubChem CID23560920
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESOC(CCC1OCCO1)C1CC2C=CC1C2
InChIInChI=1S/C13H20O3/c14-12(3-4-13-15-5-6-16-13)11-8-9-1-2-10(11)7-9/h1-2,9-14H,3-8H2
InChIKeyKUIIAACIRZQKIM-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (CID 23560920) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is OC(CCC1OCCO1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is KUIIAACIRZQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12(3-4-13-15-5-6-16-13)11-8-9-1-2-10(11)7-9/h1-2,9-14H,3-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 23560920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).