1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

C14H22O3 — CID 23560926

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESOC(CCC1OCCO1)CC1CC2C=CC1C2
InChIInChI=1S/C14H22O3/c15-13(3-4-14-16-5-6-17-14)9-12-8-10-1-2-11(12)7-10/h1-2,10-15H,3-9H2
InChIKeyVAFIHAAXJCWAOO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.10
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (PubChem CID 23560926) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
PubChem CID23560926
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESOC(CCC1OCCO1)CC1CC2C=CC1C2
InChIInChI=1S/C14H22O3/c15-13(3-4-14-16-5-6-17-14)9-12-8-10-1-2-11(12)7-10/h1-2,10-15H,3-9H2
InChIKeyVAFIHAAXJCWAOO-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.10
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)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (CID 23560926) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is OC(CCC1OCCO1)CC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The InChIKey is VAFIHAAXJCWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-13(3-4-14-16-5-6-17-14)9-12-8-10-1-2-11(12)7-10/h1-2,10-15H,3-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-4-(1,3-dioxolan-2-yl)butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.10, 5 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)-4-(1,3-dioxolan-2-yl)butan-2-ol is sourced from PubChem (CID 23560926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).