trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid

C11H18O2 — CID 178190756

IUPACtrans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@@]1(C(=O)O)C[C@H]1C1CCCCC1
InChIInChI=1S/C11H18O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)/t9-,11+/m0/s1
InChIKeySDGSFDGQQWVLOO-GXSJLCMTSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid

trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid (PubChem CID 178190756) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
PubChem CID178190756
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametrans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@@]1(C(=O)O)C[C@H]1C1CCCCC1
InChIInChI=1S/C11H18O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)/t9-,11+/m0/s1
InChIKeySDGSFDGQQWVLOO-GXSJLCMTSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
acetic acid;cyclohexylcyclohexane
CID 67293698
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
2-cyclohexyl-3-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 152707167
(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 53487321
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid (CID 178190756) is trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid is C[C@@]1(C(=O)O)C[C@H]1C1CCCCC1.
What is the InChIKey of trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is SDGSFDGQQWVLOO-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)/t9-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid?
trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 178190756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).