6-methylbicyclo[4.1.0]heptane-1-carboxylic acid

C9H14O2 — CID 134896237

IUPAC6-methylbicyclo[4.1.0]heptane-1-carboxylic acid
SMILESCC12CCCCC1(C(=O)O)C2
InChIInChI=1S/C9H14O2/c1-8-4-2-3-5-9(8,6-8)7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyQRFMSAZWQJFRRV-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.04
Rot. Bonds1

About 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid

6-methylbicyclo[4.1.0]heptane-1-carboxylic acid (PubChem CID 134896237) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid.

Molecular Properties

Compound Name6-methylbicyclo[4.1.0]heptane-1-carboxylic acid
PubChem CID134896237
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-methylbicyclo[4.1.0]heptane-1-carboxylic acid
SMILESCC12CCCCC1(C(=O)O)C2
InChIInChI=1S/C9H14O2/c1-8-4-2-3-5-9(8,6-8)7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyQRFMSAZWQJFRRV-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,4S)-4-formyl-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxylic acid
CID 98469716
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
5-methoxycarbonylbicyclo[3.1.0]hexane-1-carboxylic acid
CID 23423440
1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79853126
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
cyclohexane;cyclohexane-1,1-dicarboxylic acid;methanol
CID 67028840
[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate
CID 10442084
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
3',4,7,7-tetramethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]-1-carboxylic acid
CID 158859882

Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid?
The IUPAC name of 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid (CID 134896237) is 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid.
What is the SMILES notation for 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid?
The canonical SMILES for 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid is CC12CCCCC1(C(=O)O)C2.
What is the InChIKey of 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid?
The InChIKey is QRFMSAZWQJFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-4-2-3-5-9(8,6-8)7(10)11/h2-6H2,1H3,(H,10,11).
What are the key properties of 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid?
6-methylbicyclo[4.1.0]heptane-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[4.1.0]heptane-1-carboxylic acid is sourced from PubChem (CID 134896237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).