5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride

C11H21ClO2 — CID 66645461

IUPAC5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCC1CCC(C(C)C)C(C(=O)O)C1.Cl
InChIInChI=1S/C11H20O2.ClH/c1-7(2)9-5-4-8(3)6-10(9)11(12)13;/h7-10H,4-6H2,1-3H3,(H,12,13);1H
InChIKeyJASWGILUJKBCDM-UHFFFAOYSA-N
MW220.74 g/mol
LogP3.20
Rot. Bonds2

About 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride

5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 66645461) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID66645461
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCC1CCC(C(C)C)C(C(=O)O)C1.Cl
InChIInChI=1S/C11H20O2.ClH/c1-7(2)9-5-4-8(3)6-10(9)11(12)13;/h7-10H,4-6H2,1-3H3,(H,12,13);1H
InChIKeyJASWGILUJKBCDM-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)penta-2,3-dienedioic acid
CID 22468078
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
methyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 66779130
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
CID 70597655
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride (CID 66645461) is 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride is CC1CCC(C(C)C)C(C(=O)O)C1.Cl.
What is the InChIKey of 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is JASWGILUJKBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.ClH/c1-7(2)9-5-4-8(3)6-10(9)11(12)13;/h7-10H,4-6H2,1-3H3,(H,12,13);1H.
What are the key properties of 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride?
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 66645461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).