9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one

C13H20O2 — CID 592091

IUPAC9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one
SMILESCC1C(=O)CC23CCC(O)C2(C)CCC13
InChIInChI=1S/C13H20O2/c1-8-9-3-5-12(2)11(15)4-6-13(9,12)7-10(8)14/h8-9,11,15H,3-7H2,1-2H3
InChIKeyUWGNWYHHBWYMBX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds

About 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one

9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one (PubChem CID 592091) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one.

Molecular Properties

Compound Name9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one
PubChem CID592091
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one
SMILESCC1C(=O)CC23CCC(O)C2(C)CCC13
InChIInChI=1S/C13H20O2/c1-8-9-3-5-12(2)11(15)4-6-13(9,12)7-10(8)14/h8-9,11,15H,3-7H2,1-2H3
InChIKeyUWGNWYHHBWYMBX-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one?
The IUPAC name of 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one (CID 592091) is 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one.
What is the SMILES notation for 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one?
The canonical SMILES for 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one is CC1C(=O)CC23CCC(O)C2(C)CCC13.
What is the InChIKey of 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one?
The InChIKey is UWGNWYHHBWYMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-9-3-5-12(2)11(15)4-6-13(9,12)7-10(8)14/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one?
9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one has a molecular weight of 208.30 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,8-dimethyltricyclo[6.3.0.01,5]undecan-3-one is sourced from PubChem (CID 592091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).