(6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal

C15H24O3 — CID 91483356

IUPAC(6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal
SMILESCCC=C(/C=C(\CCC)CCCC(=O)C=O)OC
InChIInChI=1S/C15H24O3/c1-4-7-13(9-6-10-14(17)12-16)11-15(18-3)8-5-2/h8,11-12H,4-7,9-10H2,1-3H3/b13-11+,15-8?
InChIKeyBICCSRZOHUABIJ-VRFCRGODSA-N
MW252.35 g/mol
LogP3.59
Rot. Bonds10

About (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal

(6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal (PubChem CID 91483356) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal.

Molecular Properties

Compound Name(6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal
PubChem CID91483356
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal
SMILESCCC=C(/C=C(\CCC)CCCC(=O)C=O)OC
InChIInChI=1S/C15H24O3/c1-4-7-13(9-6-10-14(17)12-16)11-15(18-3)8-5-2/h8,11-12H,4-7,9-10H2,1-3H3/b13-11+,15-8?
InChIKeyBICCSRZOHUABIJ-VRFCRGODSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal 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

5-Nonanoyl-oxin
CID 129891267
2-(3-Fluoro-4-methoxy-6-methylcyclohepta-1,3,5-trien-1-yl)acetaldehyde
CID 143713023
3-Butyl-4-ethoxycyclohexa-3,5-diene-1,2-dione
CID 17969358
3,6-Dibutyl-4-propoxycyclohexa-3,5-diene-1,2-dione
CID 17970483
3-Butyl-4-propoxycyclohexa-3,5-diene-1,2-dione
CID 17970706
3,6-Dibutyl-4-methoxycyclohexa-3,5-diene-1,2-dione
CID 17971596
3,6-Dibutyl-4-ethoxycyclohexa-3,5-diene-1,2-dione
CID 69498567
4-Butoxy-3,6-dibutylcyclohexa-3,5-diene-1,2-dione
CID 69498608
6-Ethylidene-9-methoxydeca-7,9-dien-2-one
CID 123625183
(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal
CID 129295690
(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione
CID 129295997
(7E,9E)-10-methoxy-9-methyl-6-oxododeca-7,9,11-trienal
CID 135225406

Frequently Asked Questions

What is the IUPAC name of (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal?
The IUPAC name of (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal (CID 91483356) is (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal.
What is the SMILES notation for (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal?
The canonical SMILES for (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal is CCC=C(/C=C(\CCC)CCCC(=O)C=O)OC.
What is the InChIKey of (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal?
The InChIKey is BICCSRZOHUABIJ-VRFCRGODSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-7-13(9-6-10-14(17)12-16)11-15(18-3)8-5-2/h8,11-12H,4-7,9-10H2,1-3H3/b13-11+,15-8?.
What are the key properties of (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal?
(6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal has a molecular weight of 252.35 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-methoxy-2-oxo-6-propylundeca-6,8-dienal is sourced from PubChem (CID 91483356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).