methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate

C12H18O2 — CID 10987140

IUPACmethyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
SMILESCOC(=O)C12C[C@]3(C)CC1C[C@]3(C)C2
InChIInChI=1S/C12H18O2/c1-10-4-8-5-11(10,2)7-12(8,6-10)9(13)14-3/h8H,4-7H2,1-3H3/t8?,10-,11+,12?
InChIKeyVJJPSQYRGGAOAA-XZNFRSMWSA-N
MW194.27 g/mol
LogP2.38
Rot. Bonds1

About methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate

methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate (PubChem CID 10987140) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
PubChem CID10987140
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namemethyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
SMILESCOC(=O)C12C[C@]3(C)CC1C[C@]3(C)C2
InChIInChI=1S/C12H18O2/c1-10-4-8-5-11(10,2)7-12(8,6-10)9(13)14-3/h8H,4-7H2,1-3H3/t8?,10-,11+,12?
InChIKeyVJJPSQYRGGAOAA-XZNFRSMWSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate with MolForge

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Related Compounds

dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
methyl (1S,2R,4S)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 124858995
methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 171090149
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 1-(thiolan-3-yl)cyclopropane-1-carboxylate
CID 176838404
methyl 4-hydroxy-3-methylpiperidine-3-carboxylate
CID 66976940
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
2-chloro-3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid
CID 164907247
N,3,7-trimethyltricyclo[3.3.0.03,7]octan-1-amine
CID 44587971
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656

Frequently Asked Questions

What is the IUPAC name of methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate?
The IUPAC name of methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate (CID 10987140) is methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate.
What is the SMILES notation for methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate?
The canonical SMILES for methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate is COC(=O)C12C[C@]3(C)CC1C[C@]3(C)C2.
What is the InChIKey of methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate?
The InChIKey is VJJPSQYRGGAOAA-XZNFRSMWSA-N. The full InChI is InChI=1S/C12H18O2/c1-10-4-8-5-11(10,2)7-12(8,6-10)9(13)14-3/h8H,4-7H2,1-3H3/t8?,10-,11+,12?.
What are the key properties of methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate?
methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate is sourced from PubChem (CID 10987140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).