(4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde

C10H14O2 — CID 130792627

IUPAC(4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
SMILESC[C@@]1([C@@H]2CC=C(C=O)CC2)CO1
InChIInChI=1S/C10H14O2/c1-10(7-12-10)9-4-2-8(6-11)3-5-9/h2,6,9H,3-5,7H2,1H3/t9-,10+/m1/s1
InChIKeyGMONJVAEPKLGHI-ZJUUUORDSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds2

About (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde

(4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde (PubChem CID 130792627) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
PubChem CID130792627
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
SMILESC[C@@]1([C@@H]2CC=C(C=O)CC2)CO1
InChIInChI=1S/C10H14O2/c1-10(7-12-10)9-4-2-8(6-11)3-5-9/h2,6,9H,3-5,7H2,1H3/t9-,10+/m1/s1
InChIKeyGMONJVAEPKLGHI-ZJUUUORDSA-N
XLogP1.70
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde?
The IUPAC name of (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde (CID 130792627) is (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde.
What is the SMILES notation for (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde?
The canonical SMILES for (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde is C[C@@]1([C@@H]2CC=C(C=O)CC2)CO1.
What is the InChIKey of (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde?
The InChIKey is GMONJVAEPKLGHI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(7-12-10)9-4-2-8(6-11)3-5-9/h2,6,9H,3-5,7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde?
(4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 130792627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).