(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid

C10H18O2 — CID 59877468

IUPAC(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H18O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8?,9-/m1/s1
InChIKeyXYPTUIJDSKROES-YGPZHTELSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds2

About (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid

(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 59877468) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID59877468
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H18O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8?,9-/m1/s1
InChIKeyXYPTUIJDSKROES-YGPZHTELSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-3-(1-aminoethyl)cyclohexane-1-carboxylic acid
CID 67863666
1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;3-propan-2-ylcyclohexane-1-carboxylic acid
CID 91543007
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
3-(propan-2-yloxycarbonylamino)cyclohexane-1-carboxylic acid
CID 63044385
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide
CID 166985649
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
cyclohexane-1,3-dicarboxylic acid;2-methylbut-2-ene
CID 70371264
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192

Frequently Asked Questions

What is the IUPAC name of (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid (CID 59877468) is (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is XYPTUIJDSKROES-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8?,9-/m1/s1.
What are the key properties of (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid?
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 170.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 59877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).