(1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one

C14H18O2 — CID 50922847

IUPAC(1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
SMILESCC1=C2CC[C@@H]3C[C@@]2(C=CC1=O)C[C@]3(C)O
InChIInChI=1S/C14H18O2/c1-9-11-4-3-10-7-14(11,6-5-12(9)15)8-13(10,2)16/h5-6,10,16H,3-4,7-8H2,1-2H3/t10-,13+,14+/m1/s1
InChIKeyFDPWCUTUAGSSGI-SWHYSGLUSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds

About (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one

(1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one (PubChem CID 50922847) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one.

Molecular Properties

Compound Name(1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
PubChem CID50922847
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
SMILESCC1=C2CC[C@@H]3C[C@@]2(C=CC1=O)C[C@]3(C)O
InChIInChI=1S/C14H18O2/c1-9-11-4-3-10-7-14(11,6-5-12(9)15)8-13(10,2)16/h5-6,10,16H,3-4,7-8H2,1-2H3/t10-,13+,14+/m1/s1
InChIKeyFDPWCUTUAGSSGI-SWHYSGLUSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one with MolForge

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Related Compounds

5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione
CID 14337599
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CID 156531437
4-hydroperoxy-2,3,4-trimethylcyclohexa-2,5-dien-1-one
CID 150971843
methyl (2S)-2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 11021680
(8R,9S,10R,13S,14S)-4-amino-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 67894315
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(10R,13S,17R)-4,17-dihydroxy-10,13-dimethyl-17-(1,1,2,2,2-pentafluoroethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 10180422
(3aS,3bR,9aR,9bS,11aS)-6-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-1,7-dione
CID 67742471
4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
CID 621620
7-hydroxy-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
CID 5224870
(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol
CID 135191708
6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
CID 162867595

Frequently Asked Questions

What is the IUPAC name of (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The IUPAC name of (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one (CID 50922847) is (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one.
What is the SMILES notation for (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The canonical SMILES for (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one is CC1=C2CC[C@@H]3C[C@@]2(C=CC1=O)C[C@]3(C)O.
What is the InChIKey of (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The InChIKey is FDPWCUTUAGSSGI-SWHYSGLUSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-11-4-3-10-7-14(11,6-5-12(9)15)8-13(10,2)16/h5-6,10,16H,3-4,7-8H2,1-2H3/t10-,13+,14+/m1/s1.
What are the key properties of (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
(1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10S)-10-hydroxy-5,10-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one is sourced from PubChem (CID 50922847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).