1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one

C12H18O — CID 15215222

IUPAC1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one
SMILESCC1(C)CCC2C3C(=O)CC1C23C
InChIInChI=1S/C12H18O/c1-11(2)5-4-7-10-8(13)6-9(11)12(7,10)3/h7,9-10H,4-6H2,1-3H3
InChIKeyKAKAFBYCDZAPKJ-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.65
Rot. Bonds

About 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one

1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one (PubChem CID 15215222) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one.

Molecular Properties

Compound Name1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one
PubChem CID15215222
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one
SMILESCC1(C)CCC2C3C(=O)CC1C23C
InChIInChI=1S/C12H18O/c1-11(2)5-4-7-10-8(13)6-9(11)12(7,10)3/h7,9-10H,4-6H2,1-3H3
InChIKeyKAKAFBYCDZAPKJ-UHFFFAOYSA-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

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Related Compounds

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(4aR,4bS,7S,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-9-one
CID 102214641
3a,6,6,9,9a-pentamethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 123771473
3-hydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
CID 75111146
4,7,7-trimethylbicyclo[4.1.0]heptan-2-one
CID 85303553
(1S)-2,2,7,7-tetramethyltricyclo[8.2.1.01,6]tridecan-4-one
CID 143747798
ethyl (1S,2S,4aR,8aS)-1,2,5,5-tetramethyl-4-oxo-3,4a,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 11300492
6,6-dimethylbicyclo[3.1.0]hexan-2-one
CID 12740328
(4aR,4bS,7S,8aR,10aR)-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthren-9-one
CID 162859154
(1aR,3aS,7aS,7bR)-1,1,3a-trimethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalene-4,7-dione
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(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one?
The IUPAC name of 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one (CID 15215222) is 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one.
What is the SMILES notation for 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one?
The canonical SMILES for 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one is CC1(C)CCC2C3C(=O)CC1C23C.
What is the InChIKey of 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one?
The InChIKey is KAKAFBYCDZAPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-11(2)5-4-7-10-8(13)6-9(11)12(7,10)3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one?
1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-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 1,5,5-trimethyltricyclo[4.3.0.02,9]nonan-8-one is sourced from PubChem (CID 15215222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).