methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate

C14H18O2 — CID 134887837

IUPACmethyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate
SMILESCOC(=O)C12C3C4C1C21CCCCCCC431
InChIInChI=1S/C14H18O2/c1-16-11(15)14-9-8-10(14)13(14)7-5-3-2-4-6-12(8,9)13/h8-10H,2-7H2,1H3
InChIKeyPXQXHSAGIUKNFO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds1

About methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate

methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate (PubChem CID 134887837) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate.

Molecular Properties

Compound Namemethyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate
PubChem CID134887837
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate
SMILESCOC(=O)C12C3C4C1C21CCCCCCC431
InChIInChI=1S/C14H18O2/c1-16-11(15)14-9-8-10(14)13(14)7-5-3-2-4-6-12(8,9)13/h8-10H,2-7H2,1H3
InChIKeyPXQXHSAGIUKNFO-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate with MolForge

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Related Compounds

methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
dimethyl pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4,5-dicarboxylate
CID 53375881
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
dimethyl (1R,2R,3R,4S,5R,6S,7R,8S,9S,10R)-hexacyclo[6.6.0.01,10.02,7.05,10.06,9]tetradecane-3,4-dicarboxylate
CID 124788715
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 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
CID 98156668
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641
dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate
CID 14381409
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665

Frequently Asked Questions

What is the IUPAC name of methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate?
The IUPAC name of methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate (CID 134887837) is methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate.
What is the SMILES notation for methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate?
The canonical SMILES for methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate is COC(=O)C12C3C4C1C21CCCCCCC431.
What is the InChIKey of methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate?
The InChIKey is PXQXHSAGIUKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-11(15)14-9-8-10(14)13(14)7-5-3-2-4-6-12(8,9)13/h8-10H,2-7H2,1H3.
What are the key properties of methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate?
methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate has a molecular weight of 218.30 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 (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate is sourced from PubChem (CID 134887837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).