1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one

C15H24O — CID 140738374

IUPAC1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
SMILESCC1(C)CC2C(=O)CCC3CC3CCC21C
InChIInChI=1S/C15H24O/c1-14(2)9-12-13(16)5-4-10-8-11(10)6-7-15(12,14)3/h10-12H,4-9H2,1-3H3
InChIKeyDTSCDEQFBPSNQG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

About 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one

1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one (PubChem CID 140738374) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one.

Molecular Properties

Compound Name1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
PubChem CID140738374
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
SMILESCC1(C)CC2C(=O)CCC3CC3CCC21C
InChIInChI=1S/C15H24O/c1-14(2)9-12-13(16)5-4-10-8-11(10)6-7-15(12,14)3/h10-12H,4-9H2,1-3H3
InChIKeyDTSCDEQFBPSNQG-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14201809
7,7,8,8-tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-one
CID 134587249
1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol
CID 23398442
1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile
CID 70100007
(1S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 58065052
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
CID 58165389
2-ethoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328321
(1S,4R,5S)-1,4-dimethylbicyclo[3.2.1]octan-3-one
CID 124563688
3-methylbicyclo[4.1.0]heptane-3-carboxylic acid
CID 59761129
(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
CID 130754418
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356

Frequently Asked Questions

What is the IUPAC name of 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
The IUPAC name of 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one (CID 140738374) is 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one.
What is the SMILES notation for 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
The canonical SMILES for 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one is CC1(C)CC2C(=O)CCC3CC3CCC21C.
What is the InChIKey of 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
The InChIKey is DTSCDEQFBPSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)9-12-13(16)5-4-10-8-11(10)6-7-15(12,14)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one has a molecular weight of 220.36 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one is sourced from PubChem (CID 140738374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).