(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one

C14H22O — CID 11790397

IUPAC(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one
SMILESC[C@@H]1CC[C@@]2(C)C[C@]3(C)CCC[C@@]13C2=O
InChIInChI=1S/C14H22O/c1-10-5-8-12(2)9-13(3)6-4-7-14(10,13)11(12)15/h10H,4-9H2,1-3H3/t10-,12+,13+,14+/m1/s1
InChIKeyZMMYCTDOODEMGX-SAXRGWBVSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds

About (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one

(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one (PubChem CID 11790397) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one.

Molecular Properties

Compound Name(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one
PubChem CID11790397
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one
SMILESC[C@@H]1CC[C@@]2(C)C[C@]3(C)CCC[C@@]13C2=O
InChIInChI=1S/C14H22O/c1-10-5-8-12(2)9-13(3)6-4-7-14(10,13)11(12)15/h10H,4-9H2,1-3H3/t10-,12+,13+,14+/m1/s1
InChIKeyZMMYCTDOODEMGX-SAXRGWBVSA-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 (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one?
The IUPAC name of (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one (CID 11790397) is (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one.
What is the SMILES notation for (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one?
The canonical SMILES for (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one is C[C@@H]1CC[C@@]2(C)C[C@]3(C)CCC[C@@]13C2=O.
What is the InChIKey of (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one?
The InChIKey is ZMMYCTDOODEMGX-SAXRGWBVSA-N. The full InChI is InChI=1S/C14H22O/c1-10-5-8-12(2)9-13(3)6-4-7-14(10,13)11(12)15/h10H,4-9H2,1-3H3/t10-,12+,13+,14+/m1/s1.
What are the key properties of (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one?
(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-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 (1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one is sourced from PubChem (CID 11790397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).