1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one

C11H18O2 — CID 85230357

IUPAC1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one
SMILESCC1(C)CC2CCCC(O)(C2)C1=O
InChIInChI=1S/C11H18O2/c1-10(2)6-8-4-3-5-11(13,7-8)9(10)12/h8,13H,3-7H2,1-2H3
InChIKeyGHSPUWSQBPHCBK-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.91
Rot. Bonds

About 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one

1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one (PubChem CID 85230357) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one
PubChem CID85230357
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one
SMILESCC1(C)CC2CCCC(O)(C2)C1=O
InChIInChI=1S/C11H18O2/c1-10(2)6-8-4-3-5-11(13,7-8)9(10)12/h8,13H,3-7H2,1-2H3
InChIKeyGHSPUWSQBPHCBK-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one?
The IUPAC name of 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one (CID 85230357) is 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one?
The canonical SMILES for 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one is CC1(C)CC2CCCC(O)(C2)C1=O.
What is the InChIKey of 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one?
The InChIKey is GHSPUWSQBPHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-8-4-3-5-11(13,7-8)9(10)12/h8,13H,3-7H2,1-2H3.
What are the key properties of 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one?
1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one has a molecular weight of 182.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 85230357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).