2-methylcyclohexane-1-carboxylic acid;dihydrochloride

C8H16Cl2O2 — CID 90238967

IUPAC2-methylcyclohexane-1-carboxylic acid;dihydrochloride
SMILESCC1CCCCC1C(=O)O.Cl.Cl
InChIInChI=1S/C8H14O2.2ClH/c1-6-4-2-3-5-7(6)8(9)10;;/h6-7H,2-5H2,1H3,(H,9,10);2*1H
InChIKeyPXVDNLQDBKAORF-UHFFFAOYSA-N
MW215.12 g/mol
LogP2.74
Rot. Bonds1

About 2-methylcyclohexane-1-carboxylic acid;dihydrochloride

2-methylcyclohexane-1-carboxylic acid;dihydrochloride (PubChem CID 90238967) has the molecular formula C8H16Cl2O2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 2-methylcyclohexane-1-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-methylcyclohexane-1-carboxylic acid;dihydrochloride
PubChem CID90238967
Molecular FormulaC8H16Cl2O2
Molecular Weight215.12 g/mol
Exact Mass214.05
IUPAC Name2-methylcyclohexane-1-carboxylic acid;dihydrochloride
SMILESCC1CCCCC1C(=O)O.Cl.Cl
InChIInChI=1S/C8H14O2.2ClH/c1-6-4-2-3-5-7(6)8(9)10;;/h6-7H,2-5H2,1H3,(H,9,10);2*1H
InChIKeyPXVDNLQDBKAORF-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-methylcyclooctane-1-carboxylic acid
CID 21039885
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
cis-(1S,2R)-2-methylcyclohexane-1-carboxylic acid;methanol;methyl formate;spiro[2.3]hexane
CID 143693719
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 161025451
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
2-bromo-1-[(1R,2R)-2-methylcyclohexyl]ethanone
CID 93494508

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexane-1-carboxylic acid;dihydrochloride?
The IUPAC name of 2-methylcyclohexane-1-carboxylic acid;dihydrochloride (CID 90238967) is 2-methylcyclohexane-1-carboxylic acid;dihydrochloride.
What is the SMILES notation for 2-methylcyclohexane-1-carboxylic acid;dihydrochloride?
The canonical SMILES for 2-methylcyclohexane-1-carboxylic acid;dihydrochloride is CC1CCCCC1C(=O)O.Cl.Cl.
What is the InChIKey of 2-methylcyclohexane-1-carboxylic acid;dihydrochloride?
The InChIKey is PXVDNLQDBKAORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.2ClH/c1-6-4-2-3-5-7(6)8(9)10;;/h6-7H,2-5H2,1H3,(H,9,10);2*1H.
What are the key properties of 2-methylcyclohexane-1-carboxylic acid;dihydrochloride?
2-methylcyclohexane-1-carboxylic acid;dihydrochloride has a molecular weight of 215.12 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexane-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 90238967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).