(1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one

C15H24O2 — CID 162786792

IUPAC(1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one
SMILESC[C@@H]1CC[C@@]23CC(=O)CC[C@@]12C[C@@H](O)C3(C)C
InChIInChI=1S/C15H24O2/c1-10-4-7-15-8-11(16)5-6-14(10,15)9-12(17)13(15,2)3/h10,12,17H,4-9H2,1-3H3/t10-,12-,14-,15+/m1/s1
InChIKeyQWMYPJKSEDQWBV-LTZCYQRMSA-N
MW236.35 g/mol
LogP2.93
Rot. Bonds

About (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one

(1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one (PubChem CID 162786792) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one.

Molecular Properties

Compound Name(1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one
PubChem CID162786792
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one
SMILESC[C@@H]1CC[C@@]23CC(=O)CC[C@@]12C[C@@H](O)C3(C)C
InChIInChI=1S/C15H24O2/c1-10-4-7-15-8-11(16)5-6-14(10,15)9-12(17)13(15,2)3/h10,12,17H,4-9H2,1-3H3/t10-,12-,14-,15+/m1/s1
InChIKeyQWMYPJKSEDQWBV-LTZCYQRMSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one?
The IUPAC name of (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one (CID 162786792) is (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one.
What is the SMILES notation for (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one?
The canonical SMILES for (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one is C[C@@H]1CC[C@@]23CC(=O)CC[C@@]12C[C@@H](O)C3(C)C.
What is the InChIKey of (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one?
The InChIKey is QWMYPJKSEDQWBV-LTZCYQRMSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-4-7-15-8-11(16)5-6-14(10,15)9-12(17)13(15,2)3/h10,12,17H,4-9H2,1-3H3/t10-,12-,14-,15+/m1/s1.
What are the key properties of (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one?
(1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one has a molecular weight of 236.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R,11R)-11-hydroxy-7,10,10-trimethyltricyclo[4.3.3.01,6]dodecan-3-one is sourced from PubChem (CID 162786792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).