dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate

C12H16O4 — CID 102319809

IUPACdimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
SMILESCOC(=O)[C@@]12C[C@H]3C[C@@H]1C[C@@]3(C(=O)OC)C2
InChIInChI=1S/C12H16O4/c1-15-9(13)11-4-8-3-7(11)5-12(8,6-11)10(14)16-2/h7-8H,3-6H2,1-2H3/t7-,8-,11-,12-/m1/s1
InChIKeyBCBJQXDWABQQEP-GAJNKVMBSA-N
MW224.26 g/mol
LogP1.14
Rot. Bonds2

About dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate

dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate (PubChem CID 102319809) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
PubChem CID102319809
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namedimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
SMILESCOC(=O)[C@@]12C[C@H]3C[C@@H]1C[C@@]3(C(=O)OC)C2
InChIInChI=1S/C12H16O4/c1-15-9(13)11-4-8-3-7(11)5-12(8,6-11)10(14)16-2/h7-8H,3-6H2,1-2H3/t7-,8-,11-,12-/m1/s1
InChIKeyBCBJQXDWABQQEP-GAJNKVMBSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate with MolForge

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Related Compounds

methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 10987140
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 (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
2-chloro-3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid
CID 164907247
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
CID 178200449
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 146294452
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate?
The IUPAC name of dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate (CID 102319809) is dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate.
What is the SMILES notation for dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate?
The canonical SMILES for dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate is COC(=O)[C@@]12C[C@H]3C[C@@H]1C[C@@]3(C(=O)OC)C2.
What is the InChIKey of dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate?
The InChIKey is BCBJQXDWABQQEP-GAJNKVMBSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-9(13)11-4-8-3-7(11)5-12(8,6-11)10(14)16-2/h7-8H,3-6H2,1-2H3/t7-,8-,11-,12-/m1/s1.
What are the key properties of dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate?
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate is sourced from PubChem (CID 102319809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).