(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one

C14H22O — CID 11344778

IUPAC(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one
SMILESCC1(C)C[C@H]2C[C@]3(C)CC[C@@H]3C(=O)[C@H]2C1
InChIInChI=1S/C14H22O/c1-13(2)6-9-7-14(3)5-4-11(14)12(15)10(9)8-13/h9-11H,4-8H2,1-3H3/t9-,10-,11+,14-/m0/s1
InChIKeyCCBNUZBCYIPMBQ-DYNIEEOBSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds

About (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one

(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one (PubChem CID 11344778) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one.

Molecular Properties

Compound Name(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one
PubChem CID11344778
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one
SMILESCC1(C)C[C@H]2C[C@]3(C)CC[C@@H]3C(=O)[C@H]2C1
InChIInChI=1S/C14H22O/c1-13(2)6-9-7-14(3)5-4-11(14)12(15)10(9)8-13/h9-11H,4-8H2,1-3H3/t9-,10-,11+,14-/m0/s1
InChIKeyCCBNUZBCYIPMBQ-DYNIEEOBSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one with MolForge

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Related Compounds

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CID 130019879
(3aR,7aR)-2,2,7-trimethyl-3,3a,4,7a-tetrahydro-1H-inden-5-one
CID 11401100
3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
CID 57356409
methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 143337545
trans-(2S,6S)-2,6-dichloro-4,4-dimethylcyclohexan-1-one
CID 130863746
(3bR,6aS,7aS)-5,5,7a-trimethyl-7-oxo-1,2,3b,4,6,6a-hexahydrocyclopenta[a]pentalene-3-carbaldehyde
CID 177472333
(3aR,6aS)-2,3,5,5-tetramethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 11137697
(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 90336150
(3aS,6aR)-3,5,5-trimethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 101187822
(3bR,6aS,7aS)-5,5,7a-trimethyl-7-oxo-1,2,3b,4,6,6a-hexahydrocyclopenta[a]pentalene-3-carboxylic acid
CID 139586643
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.2.0]octan-2-one
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one?
The IUPAC name of (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one (CID 11344778) is (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one.
What is the SMILES notation for (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one?
The canonical SMILES for (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one is CC1(C)C[C@H]2C[C@]3(C)CC[C@@H]3C(=O)[C@H]2C1.
What is the InChIKey of (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one?
The InChIKey is CCBNUZBCYIPMBQ-DYNIEEOBSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2)6-9-7-14(3)5-4-11(14)12(15)10(9)8-13/h9-11H,4-8H2,1-3H3/t9-,10-,11+,14-/m0/s1.
What are the key properties of (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one?
(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one has a molecular weight of 206.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one is sourced from PubChem (CID 11344778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).