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

C10H16O2 — CID 12992914

IUPACcis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C10H16O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)/t8-,9+/m1/s1
InChIKeyOMTOEUCUCXPIED-BDAKNGLRSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

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

cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid (PubChem CID 12992914) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
PubChem CID12992914
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C10H16O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)/t8-,9+/m1/s1
InChIKeyOMTOEUCUCXPIED-BDAKNGLRSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid (CID 12992914) is cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid?
The InChIKey is OMTOEUCUCXPIED-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12992914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).