methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate

C14H18O2 — CID 15449235

IUPACmethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate
SMILESCOC(=O)C12C3CCC4C3C3C(CCC31)C42
InChIInChI=1S/C14H18O2/c1-16-13(15)14-8-4-2-6-10(8)11-7(12(6)14)3-5-9(11)14/h6-12H,2-5H2,1H3
InChIKeyHSKDLFQXICBHRV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds1

About methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate

methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate (PubChem CID 15449235) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate.

Molecular Properties

Compound Namemethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate
PubChem CID15449235
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate
SMILESCOC(=O)C12C3CCC4C3C3C(CCC31)C42
InChIInChI=1S/C14H18O2/c1-16-13(15)14-8-4-2-6-10(8)11-7(12(6)14)3-5-9(11)14/h6-12H,2-5H2,1H3
InChIKeyHSKDLFQXICBHRV-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate?
The IUPAC name of methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate (CID 15449235) is methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate.
What is the SMILES notation for methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate?
The canonical SMILES for methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate is COC(=O)C12C3CCC4C3C3C(CCC31)C42.
What is the InChIKey of methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate?
The InChIKey is HSKDLFQXICBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-13(15)14-8-4-2-6-10(8)11-7(12(6)14)3-5-9(11)14/h6-12H,2-5H2,1H3.
What are the key properties of methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate?
methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-8-carboxylate is sourced from PubChem (CID 15449235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).