(1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one

C12H18O — CID 15516754

IUPAC(1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one
SMILESC[C@H]1CC[C@@H]2[C@H]1C(=O)[C@H]1CC[C@]12C
InChIInChI=1S/C12H18O/c1-7-3-4-8-10(7)11(13)9-5-6-12(8,9)2/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-,12-/m0/s1
InChIKeyAMKKZIMDYUXWCQ-PPRSSJNSSA-N
MW178.27 g/mol
LogP2.65
Rot. Bonds

About (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one

(1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one (PubChem CID 15516754) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one.

Molecular Properties

Compound Name(1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one
PubChem CID15516754
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one
SMILESC[C@H]1CC[C@@H]2[C@H]1C(=O)[C@H]1CC[C@]12C
InChIInChI=1S/C12H18O/c1-7-3-4-8-10(7)11(13)9-5-6-12(8,9)2/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-,12-/m0/s1
InChIKeyAMKKZIMDYUXWCQ-PPRSSJNSSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one with MolForge

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Related Compounds

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CID 125028542

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one?
The IUPAC name of (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one (CID 15516754) is (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one.
What is the SMILES notation for (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one?
The canonical SMILES for (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one is C[C@H]1CC[C@@H]2[C@H]1C(=O)[C@H]1CC[C@]12C.
What is the InChIKey of (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one?
The InChIKey is AMKKZIMDYUXWCQ-PPRSSJNSSA-N. The full InChI is InChI=1S/C12H18O/c1-7-3-4-8-10(7)11(13)9-5-6-12(8,9)2/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-,12-/m0/s1.
What are the key properties of (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one?
(1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one has a molecular weight of 178.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,7S,8S)-2,8-dimethyltricyclo[5.3.0.02,5]decan-6-one is sourced from PubChem (CID 15516754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).