(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one

C14H22O — CID 11805885

IUPAC(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one
SMILESCC1CC[C@]23CCC[C@]12C(=O)CC3(C)C
InChIInChI=1S/C14H22O/c1-10-5-8-13-6-4-7-14(10,13)11(15)9-12(13,2)3/h10H,4-9H2,1-3H3/t10?,13-,14+/m0/s1
InChIKeyCNYPBJDMBFBJHS-INPHSSGZSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds

About (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one

(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one (PubChem CID 11805885) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one.

Molecular Properties

Compound Name(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one
PubChem CID11805885
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one
SMILESCC1CC[C@]23CCC[C@]12C(=O)CC3(C)C
InChIInChI=1S/C14H22O/c1-10-5-8-13-6-4-7-14(10,13)11(15)9-12(13,2)3/h10H,4-9H2,1-3H3/t10?,13-,14+/m0/s1
InChIKeyCNYPBJDMBFBJHS-INPHSSGZSA-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

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Related Compounds

(1S,5S)-4,4-dimethyltricyclo[3.3.1.01,5]nonan-2-one
CID 14060945
(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one
CID 11790397
(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 15966563
(1S,2R,6R)-2,9-dimethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 101241761
(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
CID 14239548
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
9-methylspiro[3.5]nonan-3-one
CID 557033
(3R,4aS,8aR)-3,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 22212489
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene
CID 11593671
methyl 2-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-oxo-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]acetate
CID 14337578
4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
CID 71103192

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one?
The IUPAC name of (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one (CID 11805885) is (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one.
What is the SMILES notation for (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one?
The canonical SMILES for (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one is CC1CC[C@]23CCC[C@]12C(=O)CC3(C)C.
What is the InChIKey of (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one?
The InChIKey is CNYPBJDMBFBJHS-INPHSSGZSA-N. The full InChI is InChI=1S/C14H22O/c1-10-5-8-13-6-4-7-14(10,13)11(15)9-12(13,2)3/h10H,4-9H2,1-3H3/t10?,13-,14+/m0/s1.
What are the key properties of (1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one?
(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-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,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one is sourced from PubChem (CID 11805885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).