10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one

C15H24O2 — CID 75250012

IUPAC10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
SMILESCC1CCC2C(C)(C)C(=O)C3(C)CC(O)C12C3
InChIInChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3
InChIKeyDDUWSZBURGHFEW-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.79
Rot. Bonds

About 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one

10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one (PubChem CID 75250012) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one.

Molecular Properties

Compound Name10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
PubChem CID75250012
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
SMILESCC1CCC2C(C)(C)C(=O)C3(C)CC(O)C12C3
InChIInChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3
InChIKeyDDUWSZBURGHFEW-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
The IUPAC name of 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one (CID 75250012) is 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one.
What is the SMILES notation for 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
The canonical SMILES for 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one is CC1CCC2C(C)(C)C(=O)C3(C)CC(O)C12C3.
What is the InChIKey of 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
The InChIKey is DDUWSZBURGHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one?
10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one has a molecular weight of 236.35 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one is sourced from PubChem (CID 75250012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).