4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid

C11H20O2 — CID 79425643

IUPAC4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C(C)C)CC1
InChIInChI=1S/C11H20O2/c1-8(2)11(10(12)13)6-4-9(3)5-7-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyCVIWIGKHEZOSNF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.92
Rot. Bonds2

About 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid

4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 79425643) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID79425643
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C(C)C)CC1
InChIInChI=1S/C11H20O2/c1-8(2)11(10(12)13)6-4-9(3)5-7-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyCVIWIGKHEZOSNF-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
4-methyl-1-pentan-2-ylcyclohexane-1-carboxylic acid
CID 107889004
N-cyclopropyl-4-methyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 130472552
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784
trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 89327370
(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid
CID 166844123
3-propan-2-yl-1-(thian-4-yl)pyrrolidine-3-carboxylic acid
CID 106984771
1-(2-methylthian-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984719
1-(2,2-difluoroethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425430
2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid
CID 158194042

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid (CID 79425643) is 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(C(C)C)CC1.
What is the InChIKey of 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is CVIWIGKHEZOSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)11(10(12)13)6-4-9(3)5-7-11/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid?
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79425643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).