dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate

C15H18O4 — CID 71127857

IUPACdimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate
SMILESCOC(=O)[C@@H]1C2C3C4CC5C2C5C(C43)[C@@H]1C(=O)OC
InChIInChI=1S/C15H18O4/c1-18-14(16)12-10-6-4-3-5-7(10)9(5)11(8(4)6)13(12)15(17)19-2/h4-13H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,10?,11?,12-,13+
InChIKeyCAMOKDNYJFGPSH-DPSFDBTBSA-N
MW262.31 g/mol
LogP0.95
Rot. Bonds2

About dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate

dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate (PubChem CID 71127857) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate.

Molecular Properties

Compound Namedimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate
PubChem CID71127857
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namedimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate
SMILESCOC(=O)[C@@H]1C2C3C4CC5C2C5C(C43)[C@@H]1C(=O)OC
InChIInChI=1S/C15H18O4/c1-18-14(16)12-10-6-4-3-5-7(10)9(5)11(8(4)6)13(12)15(17)19-2/h4-13H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,10?,11?,12-,13+
InChIKeyCAMOKDNYJFGPSH-DPSFDBTBSA-N
XLogP0.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate with MolForge

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Related Compounds

dimethyl (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylate
CID 44723366
tetramethyl hexacyclo[8.4.1.13,8.02,9.04,7.011,14]hexadecane-5,6,12,13-tetracarboxylate
CID 139948153
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
CID 90482461
dimethyl (1R,6R,8S)-pentacyclo[6.4.1.13,6.02,7.09,12]tetradecane-10,11-dicarboxylate
CID 163320232
dimethyl 3-hydroxytetracyclo[5.4.1.02,6.08,11]dodecane-9,10-dicarboxylate
CID 139997119
3,5,6-tris(methoxycarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 20810647
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
tetramethyl (1R,2S,3S,4S,5S,6S,7R,8S)-tricyclo[4.2.2.02,5]dec-9-ene-3,4,7,8-tetracarboxylate
CID 129426302
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate?
The IUPAC name of dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate (CID 71127857) is dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate.
What is the SMILES notation for dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate?
The canonical SMILES for dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate is COC(=O)[C@@H]1C2C3C4CC5C2C5C(C43)[C@@H]1C(=O)OC.
What is the InChIKey of dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate?
The InChIKey is CAMOKDNYJFGPSH-DPSFDBTBSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-14(16)12-10-6-4-3-5-7(10)9(5)11(8(4)6)13(12)15(17)19-2/h4-13H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,10?,11?,12-,13+.
What are the key properties of dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate?
dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate is sourced from PubChem (CID 71127857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).