trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid

C11H18O2 — CID 124510186

IUPACtrans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
SMILESCC1CCC([C@H]2C[C@H]2C(=O)O)CC1
InChIInChI=1S/C11H18O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/t7?,8?,9-,10-/m1/s1
InChIKeyYYGADNYACXEHHB-YDYPAMBWSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds2

About trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid (PubChem CID 124510186) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
PubChem CID124510186
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametrans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
SMILESCC1CCC([C@H]2C[C@H]2C(=O)O)CC1
InChIInChI=1S/C11H18O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/t7?,8?,9-,10-/m1/s1
InChIKeyYYGADNYACXEHHB-YDYPAMBWSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid (CID 124510186) is trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid is CC1CCC([C@H]2C[C@H]2C(=O)O)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
The InChIKey is YYGADNYACXEHHB-YDYPAMBWSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/t7?,8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid has a molecular weight of 182.26 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 trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124510186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).