4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid

C11H18O2 — CID 126845693

IUPAC4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC2CC2)CC1
InChIInChI=1S/C11H18O2/c12-11(13)10-5-3-9(4-6-10)7-8-1-2-8/h8-10H,1-7H2,(H,12,13)
InChIKeyCGPKCHDWAWWPII-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid

4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 126845693) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
PubChem CID126845693
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC2CC2)CC1
InChIInChI=1S/C11H18O2/c12-11(13)10-5-3-9(4-6-10)7-8-1-2-8/h8-10H,1-7H2,(H,12,13)
InChIKeyCGPKCHDWAWWPII-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-(methylsulfanylmethyl)cyclohexane-1-carboxylic acid
CID 21085950
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(3-aminopropyl)cyclohexane-1-carboxylic acid
CID 126844543
4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
CID 70347715
4-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
CID 146591090
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylic acid
CID 3726379

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid (CID 126845693) is 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is CGPKCHDWAWWPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-11(13)10-5-3-9(4-6-10)7-8-1-2-8/h8-10H,1-7H2,(H,12,13).
What are the key properties of 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid?
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 126845693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).