2-cyclohexyl-2-(oxiran-2-yl)acetic acid

C10H16O3 — CID 87673357

IUPAC2-cyclohexyl-2-(oxiran-2-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)C1CO1
InChIInChI=1S/C10H16O3/c11-10(12)9(8-6-13-8)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)
InChIKeyIRIICUDNJJRNRC-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds3

About 2-cyclohexyl-2-(oxiran-2-yl)acetic acid

2-cyclohexyl-2-(oxiran-2-yl)acetic acid (PubChem CID 87673357) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-cyclohexyl-2-(oxiran-2-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(oxiran-2-yl)acetic acid
PubChem CID87673357
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-cyclohexyl-2-(oxiran-2-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)C1CO1
InChIInChI=1S/C10H16O3/c11-10(12)9(8-6-13-8)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)
InChIKeyIRIICUDNJJRNRC-UHFFFAOYSA-N
XLogP1.67
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(oxiran-2-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(oxiran-2-yl)acetic acid (CID 87673357) is 2-cyclohexyl-2-(oxiran-2-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(oxiran-2-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(oxiran-2-yl)acetic acid is O=C(O)C(C1CCCCC1)C1CO1.
What is the InChIKey of 2-cyclohexyl-2-(oxiran-2-yl)acetic acid?
The InChIKey is IRIICUDNJJRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-10(12)9(8-6-13-8)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12).
What are the key properties of 2-cyclohexyl-2-(oxiran-2-yl)acetic acid?
2-cyclohexyl-2-(oxiran-2-yl)acetic acid has a molecular weight of 184.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(oxiran-2-yl)acetic acid is sourced from PubChem (CID 87673357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).