(1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one

C14H22O — CID 11469821

IUPAC(1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one
SMILESCC1(C)CCC[C@@]23CC(=O)C[C@]2(C)[C@H]3C1
InChIInChI=1S/C14H22O/c1-12(2)5-4-6-14-8-10(15)7-13(14,3)11(14)9-12/h11H,4-9H2,1-3H3/t11-,13-,14+/m1/s1
InChIKeyDXXMDYYOYTYXPO-BNOWGMLFSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds

About (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one

(1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one (PubChem CID 11469821) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one.

Molecular Properties

Compound Name(1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one
PubChem CID11469821
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one
SMILESCC1(C)CCC[C@@]23CC(=O)C[C@]2(C)[C@H]3C1
InChIInChI=1S/C14H22O/c1-12(2)5-4-6-14-8-10(15)7-13(14,3)11(14)9-12/h11H,4-9H2,1-3H3/t11-,13-,14+/m1/s1
InChIKeyDXXMDYYOYTYXPO-BNOWGMLFSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one?
The IUPAC name of (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one (CID 11469821) is (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one.
What is the SMILES notation for (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one?
The canonical SMILES for (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one is CC1(C)CCC[C@@]23CC(=O)C[C@]2(C)[C@H]3C1.
What is the InChIKey of (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one?
The InChIKey is DXXMDYYOYTYXPO-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)5-4-6-14-8-10(15)7-13(14,3)11(14)9-12/h11H,4-9H2,1-3H3/t11-,13-,14+/m1/s1.
What are the key properties of (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one?
(1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one has a molecular weight of 206.33 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,8R)-5,5,8-trimethyltricyclo[5.4.0.01,8]undecan-10-one is sourced from PubChem (CID 11469821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).