cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid

C8H14O2 — CID 12610631

IUPACcis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid
SMILESC[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyVSKXJRZPVDLHFY-NKWVEPMBSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds1

About cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid

cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 12610631) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid
PubChem CID12610631
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid
SMILESC[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyVSKXJRZPVDLHFY-NKWVEPMBSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxylic acid
CID 7413
1,4-Cyclohexanedicarboxylic acid
CID 14106
(R)-(-)-2-propyloctanoic acid
CID 208925
Cyclohexaneacetic acid
CID 21363
4-Ethyloctanoic acid
CID 61840
Anteisopentadecanoic Acid
CID 21672
4-Methylnonanoic acid
CID 62003
4-Methyloctanoic acid
CID 62089
8-Methyldecanoic acid
CID 21813
Cyclohexanepropanoic acid
CID 69702
4-Methyldecanoic acid
CID 459849
4-Methylheptanoic acid
CID 13800369

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid (CID 12610631) is cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid is C[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is VSKXJRZPVDLHFY-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 12610631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).