methyl bicyclo[4.1.0]heptane-7-carboxylate

C9H14O2 — CID 534051

IUPACmethyl bicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)C1C2CCCCC21
InChIInChI=1S/C9H14O2/c1-11-9(10)8-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKeyMSAQFZVACWBUBX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.60
Rot. Bonds1

About methyl bicyclo[4.1.0]heptane-7-carboxylate

methyl bicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 534051) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl bicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl bicyclo[4.1.0]heptane-7-carboxylate
PubChem CID534051
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl bicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)C1C2CCCCC21
InChIInChI=1S/C9H14O2/c1-11-9(10)8-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKeyMSAQFZVACWBUBX-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
tert-butyl (1S,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 101004944
dimethyl (1R,8S)-tetracyclo[6.6.2.02,7.09,14]hexadec-2(7)-ene-15,16-dicarboxylate
CID 24870511
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate
CID 44631208
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820
methyl (1R,6R,7S)-2-oxabicyclo[4.1.0]heptane-7-carboxylate
CID 101004956
methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate
CID 171514693
ethane;methyl cyclohexanecarboxylate
CID 90871014
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
CID 90482461

Frequently Asked Questions

What is the IUPAC name of methyl bicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of methyl bicyclo[4.1.0]heptane-7-carboxylate (CID 534051) is methyl bicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for methyl bicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for methyl bicyclo[4.1.0]heptane-7-carboxylate is COC(=O)C1C2CCCCC21.
What is the InChIKey of methyl bicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is MSAQFZVACWBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9(10)8-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3.
What are the key properties of methyl bicyclo[4.1.0]heptane-7-carboxylate?
methyl bicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 534051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).