1-bicyclo[3.3.2]decanyl acetate

C12H20O2 — CID 14119621

IUPAC1-bicyclo[3.3.2]decanyl acetate
SMILESCC(=O)OC12CCCC(CCC1)CC2
InChIInChI=1S/C12H20O2/c1-10(13)14-12-7-2-4-11(6-9-12)5-3-8-12/h11H,2-9H2,1H3
InChIKeyIASJWKZWKUAQOC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds1

About 1-bicyclo[3.3.2]decanyl acetate

1-bicyclo[3.3.2]decanyl acetate (PubChem CID 14119621) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-bicyclo[3.3.2]decanyl acetate.

Molecular Properties

Compound Name1-bicyclo[3.3.2]decanyl acetate
PubChem CID14119621
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-bicyclo[3.3.2]decanyl acetate
SMILESCC(=O)OC12CCCC(CCC1)CC2
InChIInChI=1S/C12H20O2/c1-10(13)14-12-7-2-4-11(6-9-12)5-3-8-12/h11H,2-9H2,1H3
InChIKeyIASJWKZWKUAQOC-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-bicyclo[3.3.2]decanyl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[3.3.2]decanyl acetate?
The IUPAC name of 1-bicyclo[3.3.2]decanyl acetate (CID 14119621) is 1-bicyclo[3.3.2]decanyl acetate.
What is the SMILES notation for 1-bicyclo[3.3.2]decanyl acetate?
The canonical SMILES for 1-bicyclo[3.3.2]decanyl acetate is CC(=O)OC12CCCC(CCC1)CC2.
What is the InChIKey of 1-bicyclo[3.3.2]decanyl acetate?
The InChIKey is IASJWKZWKUAQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(13)14-12-7-2-4-11(6-9-12)5-3-8-12/h11H,2-9H2,1H3.
What are the key properties of 1-bicyclo[3.3.2]decanyl acetate?
1-bicyclo[3.3.2]decanyl acetate has a molecular weight of 196.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[3.3.2]decanyl acetate is sourced from PubChem (CID 14119621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).