(4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal

C15H24O2 — CID 101253131

IUPAC(4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal
SMILESCCC(=O)/C=C/C(C)(C)C/C=C(\C)CCC=O
InChIInChI=1S/C15H24O2/c1-5-14(17)9-11-15(3,4)10-8-13(2)7-6-12-16/h8-9,11-12H,5-7,10H2,1-4H3/b11-9+,13-8+
InChIKeyWWVHKPBSUOUGBV-RRURSIDFSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds8

About (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal

(4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal (PubChem CID 101253131) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal.

Molecular Properties

Compound Name(4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal
PubChem CID101253131
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal
SMILESCCC(=O)/C=C/C(C)(C)C/C=C(\C)CCC=O
InChIInChI=1S/C15H24O2/c1-5-14(17)9-11-15(3,4)10-8-13(2)7-6-12-16/h8-9,11-12H,5-7,10H2,1-4H3/b11-9+,13-8+
InChIKeyWWVHKPBSUOUGBV-RRURSIDFSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal?
The IUPAC name of (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal (CID 101253131) is (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal.
What is the SMILES notation for (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal?
The canonical SMILES for (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal is CCC(=O)/C=C/C(C)(C)C/C=C(\C)CCC=O.
What is the InChIKey of (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal?
The InChIKey is WWVHKPBSUOUGBV-RRURSIDFSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-14(17)9-11-15(3,4)10-8-13(2)7-6-12-16/h8-9,11-12H,5-7,10H2,1-4H3/b11-9+,13-8+.
What are the key properties of (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal?
(4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal has a molecular weight of 236.35 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-4,7,7-trimethyl-10-oxododeca-4,8-dienal is sourced from PubChem (CID 101253131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).