(E)-3-(2-methoxycyclohexyl)prop-2-enal

C10H16O2 — CID 140520791

IUPAC(E)-3-(2-methoxycyclohexyl)prop-2-enal
SMILESCOC1CCCCC1/C=C/C=O
InChIInChI=1S/C10H16O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h4,6,8-10H,2-3,5,7H2,1H3/b6-4+
InChIKeyFGQXTDVZAPLVJQ-GQCTYLIASA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About (E)-3-(2-methoxycyclohexyl)prop-2-enal

(E)-3-(2-methoxycyclohexyl)prop-2-enal (PubChem CID 140520791) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-3-(2-methoxycyclohexyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(2-methoxycyclohexyl)prop-2-enal
PubChem CID140520791
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-3-(2-methoxycyclohexyl)prop-2-enal
SMILESCOC1CCCCC1/C=C/C=O
InChIInChI=1S/C10H16O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h4,6,8-10H,2-3,5,7H2,1H3/b6-4+
InChIKeyFGQXTDVZAPLVJQ-GQCTYLIASA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-methoxycyclohexyl)prop-2-enal with MolForge

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

Launch Full Analysis

Related Compounds

(E)-4-(1-ethoxyethyl)oct-2-enal
CID 101426696
[(1R,2S)-2-[(E)-3-oxobut-1-enyl]cyclohexyl] acetate
CID 102599037
(E)-3-(2-hydroxycyclohexyl)but-2-enal
CID 10855889
(E)-5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal
CID 57780811
5-Cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal
CID 76603817
4-(4-Methoxycyclohexyl)but-3-en-2-one
CID 85648634
(E)-5-methoxy-4-methylnon-2-enal
CID 87290909
(E)-5-methoxy-5,6-dimethylnon-2-enal
CID 87291126
(E)-5-methoxy-8-methyldec-2-enal
CID 87291134
(E)-5-methoxy-2,7-dimethylnon-2-enal
CID 87291185
(E)-5-methoxy-7,8-dimethylnon-2-enal
CID 87291200
(E)-5-methoxy-9-methyldec-2-enal
CID 87291202

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxycyclohexyl)prop-2-enal?
The IUPAC name of (E)-3-(2-methoxycyclohexyl)prop-2-enal (CID 140520791) is (E)-3-(2-methoxycyclohexyl)prop-2-enal.
What is the SMILES notation for (E)-3-(2-methoxycyclohexyl)prop-2-enal?
The canonical SMILES for (E)-3-(2-methoxycyclohexyl)prop-2-enal is COC1CCCCC1/C=C/C=O.
What is the InChIKey of (E)-3-(2-methoxycyclohexyl)prop-2-enal?
The InChIKey is FGQXTDVZAPLVJQ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h4,6,8-10H,2-3,5,7H2,1H3/b6-4+.
What are the key properties of (E)-3-(2-methoxycyclohexyl)prop-2-enal?
(E)-3-(2-methoxycyclohexyl)prop-2-enal has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxycyclohexyl)prop-2-enal is sourced from PubChem (CID 140520791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).