dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate

C16H20O4 — CID 90482461

IUPACdimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C2C3C4CCC5C4C2C1C53
InChIInChI=1S/C16H20O4/c1-19-15(17)13-11-8-5-3-4-6-7(5)10(11)12(9(6)8)14(13)16(18)20-2/h5-14H,3-4H2,1-2H3
InChIKeyPDIHXXLOKWQAAY-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.34
Rot. Bonds2

About dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate

dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate (PubChem CID 90482461) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
PubChem CID90482461
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namedimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C2C3C4CCC5C4C2C1C53
InChIInChI=1S/C16H20O4/c1-19-15(17)13-11-8-5-3-4-6-7(5)10(11)12(9(6)8)14(13)16(18)20-2/h5-14H,3-4H2,1-2H3
InChIKeyPDIHXXLOKWQAAY-UHFFFAOYSA-N
XLogP1.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate
CID 71127857
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
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
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
dimethyl 3-hydroxytetracyclo[5.4.1.02,6.08,11]dodecane-9,10-dicarboxylate
CID 139997119
dimethyl (1R,6R,8S)-pentacyclo[6.4.1.13,6.02,7.09,12]tetradecane-10,11-dicarboxylate
CID 163320232
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185
methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate
CID 44631208
(1S,2R,3S)-2-methoxycarbonyl-3-methylcyclohexane-1-carboxylic acid
CID 10774396
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

Frequently Asked Questions

What is the IUPAC name of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate?
The IUPAC name of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate (CID 90482461) is dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate.
What is the SMILES notation for dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate?
The canonical SMILES for dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate is COC(=O)C1C(C(=O)OC)C2C3C4CCC5C4C2C1C53.
What is the InChIKey of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate?
The InChIKey is PDIHXXLOKWQAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-19-15(17)13-11-8-5-3-4-6-7(5)10(11)12(9(6)8)14(13)16(18)20-2/h5-14H,3-4H2,1-2H3.
What are the key properties of dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate?
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate has a molecular weight of 276.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate is sourced from PubChem (CID 90482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).