(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one

C15H24O — CID 134922448

IUPAC(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
SMILESCC1(C)CCC[C@@]2(C)C(=O)C[C@H]3CC[C@@H]2[C@H]31
InChIInChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)9-12(15)16/h10-11,13H,4-9H2,1-3H3/t10-,11-,13+,15-/m1/s1
InChIKeyIUSJLDGICLGLDM-UQFNBPPOSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

About (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one

(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one (PubChem CID 134922448) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one.

Molecular Properties

Compound Name(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
PubChem CID134922448
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
SMILESCC1(C)CCC[C@@]2(C)C(=O)C[C@H]3CC[C@@H]2[C@H]31
InChIInChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)9-12(15)16/h10-11,13H,4-9H2,1-3H3/t10-,11-,13+,15-/m1/s1
InChIKeyIUSJLDGICLGLDM-UQFNBPPOSA-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

Analyze (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one with MolForge

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Related Compounds

(1S,2S,7R,9R)-8-(diiodomethylidene)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane
CID 134901884
(1R,4S)-7-chloro-1-methylbicyclo[2.2.1]heptan-2-one
CID 131025350
(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 11041651
(1R,5S)-7-chloro-1,5-dimethylbicyclo[3.1.1]heptan-6-one
CID 130739065
(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-2,3,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 141235300
(1R,4R,9R,10S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-2,15-dione
CID 101079462
(4aR)-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-one
CID 156705467
(1R,5R,6R)-tricyclo[4.2.2.01,5]decan-8-one
CID 95858532
(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one
CID 99726601
methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride
CID 175225393
(3R,4aS,8aR)-3,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 22212489
(1R,2S,8R,11R,12S,16S)-16-methyltetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione
CID 166042235

Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one?
The IUPAC name of (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one (CID 134922448) is (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one.
What is the SMILES notation for (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one?
The canonical SMILES for (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one is CC1(C)CCC[C@@]2(C)C(=O)C[C@H]3CC[C@@H]2[C@H]31.
What is the InChIKey of (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one?
The InChIKey is IUSJLDGICLGLDM-UQFNBPPOSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)9-12(15)16/h10-11,13H,4-9H2,1-3H3/t10-,11-,13+,15-/m1/s1.
What are the key properties of (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one?
(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-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 (1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one is sourced from PubChem (CID 134922448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).