(4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal

C17H28O3 — CID 14039070

IUPAC(4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal
SMILESC/C(=C\CC/C(C)=C/COC1CCCCO1)CCC=O
InChIInChI=1S/C17H28O3/c1-15(9-6-12-18)7-5-8-16(2)11-14-20-17-10-3-4-13-19-17/h7,11-12,17H,3-6,8-10,13-14H2,1-2H3/b15-7+,16-11+
InChIKeyHIWOITDVOXMOTH-MNBXHXLRSA-N
MW280.41 g/mol
LogP4.18
Rot. Bonds9

About (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal

(4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal (PubChem CID 14039070) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal.

Molecular Properties

Compound Name(4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal
PubChem CID14039070
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal
SMILESC/C(=C\CC/C(C)=C/COC1CCCCO1)CCC=O
InChIInChI=1S/C17H28O3/c1-15(9-6-12-18)7-5-8-16(2)11-14-20-17-10-3-4-13-19-17/h7,11-12,17H,3-6,8-10,13-14H2,1-2H3/b15-7+,16-11+
InChIKeyHIWOITDVOXMOTH-MNBXHXLRSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal?
The IUPAC name of (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal (CID 14039070) is (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal.
What is the SMILES notation for (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal?
The canonical SMILES for (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal is C/C(=C\CC/C(C)=C/COC1CCCCO1)CCC=O.
What is the InChIKey of (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal?
The InChIKey is HIWOITDVOXMOTH-MNBXHXLRSA-N. The full InChI is InChI=1S/C17H28O3/c1-15(9-6-12-18)7-5-8-16(2)11-14-20-17-10-3-4-13-19-17/h7,11-12,17H,3-6,8-10,13-14H2,1-2H3/b15-7+,16-11+.
What are the key properties of (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal?
(4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal has a molecular weight of 280.41 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienal is sourced from PubChem (CID 14039070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).