methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate

C13H20O3 — CID 102159304

IUPACmethyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate
SMILESCOC(=O)[C@@]12CC[C@](C)(O)[C@@H]1[C@H]1CCC[C@H]12
InChIInChI=1S/C13H20O3/c1-12(15)6-7-13(11(14)16-2)9-5-3-4-8(9)10(12)13/h8-10,15H,3-7H2,1-2H3/t8-,9+,10-,12-,13+/m0/s1
InChIKeyZRXAPLNXWCGSRM-CWUQZGLOSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds1

About methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate

methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate (PubChem CID 102159304) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate
PubChem CID102159304
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate
SMILESCOC(=O)[C@@]12CC[C@](C)(O)[C@@H]1[C@H]1CCC[C@H]12
InChIInChI=1S/C13H20O3/c1-12(15)6-7-13(11(14)16-2)9-5-3-4-8(9)10(12)13/h8-10,15H,3-7H2,1-2H3/t8-,9+,10-,12-,13+/m0/s1
InChIKeyZRXAPLNXWCGSRM-CWUQZGLOSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate with MolForge

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Related Compounds

methyl (1S,2S,6R,7S)-8-oxotricyclo[5.3.0.02,6]decane-1-carboxylate
CID 11127492
(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol
CID 6711372
[(1S,4R,4aR,8aR)-4-hydroxy-4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] acetate
CID 101254787
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
dimethyl (1S,4S,5S,9R,10S,13R,14S,18R)-heptacyclo[9.7.0.02,13.03,10.04,12.05,9.014,18]octadecane-11,12-dicarboxylate
CID 98556575
methyl 2,2,7-trimethylbicyclo[4.1.0]heptane-1-carboxylate
CID 70465745
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
dimethyl 6-oxabicyclo[3.2.0]heptane-7,7-dicarboxylate
CID 71429976
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
cis-dimethyl (3R,4S)-3-acetyl-4-hydroxy-4-methylcyclohexane-1,1-dicarboxylate
CID 11119208
methyl (1S,2R,3S,4S,5S,6R,9R,10R,11R,12R,13S,14S,15S,19R)-12-hydroxy-13-methyloctacyclo[9.8.0.02,14.03,10.04,13.05,9.06,12.015,19]nonadecane-11-carboxylate
CID 124911261

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate?
The IUPAC name of methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate (CID 102159304) is methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate is COC(=O)[C@@]12CC[C@](C)(O)[C@@H]1[C@H]1CCC[C@H]12.
What is the InChIKey of methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate?
The InChIKey is ZRXAPLNXWCGSRM-CWUQZGLOSA-N. The full InChI is InChI=1S/C13H20O3/c1-12(15)6-7-13(11(14)16-2)9-5-3-4-8(9)10(12)13/h8-10,15H,3-7H2,1-2H3/t8-,9+,10-,12-,13+/m0/s1.
What are the key properties of methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate?
methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate is sourced from PubChem (CID 102159304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).