4,8-dimethyl-12-oxotrideca-4,8-dienal

C15H24O2 — CID 71381085

IUPAC4,8-dimethyl-12-oxotrideca-4,8-dienal
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=O
InChIInChI=1S/C15H24O2/c1-13(9-5-11-15(3)17)7-4-8-14(2)10-6-12-16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyWFSIQNRAWDRWLN-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.01
Rot. Bonds9

About 4,8-dimethyl-12-oxotrideca-4,8-dienal

4,8-dimethyl-12-oxotrideca-4,8-dienal (PubChem CID 71381085) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4,8-dimethyl-12-oxotrideca-4,8-dienal.

Molecular Properties

Compound Name4,8-dimethyl-12-oxotrideca-4,8-dienal
PubChem CID71381085
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4,8-dimethyl-12-oxotrideca-4,8-dienal
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=O
InChIInChI=1S/C15H24O2/c1-13(9-5-11-15(3)17)7-4-8-14(2)10-6-12-16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyWFSIQNRAWDRWLN-UHFFFAOYSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.01
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'}

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Related Compounds

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CID 5363460
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
3-methyl-7-oxooct-3-enal
CID 91303199
(4E,8E)-4,8,11,11-tetramethyldodeca-4,8-dienal;(5E,9E)-5,9,12,12-tetramethyltrideca-5,9-dien-2-one
CID 165057425
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(E)-9-bromo-4-methyl-8-oxonon-4-enal
CID 12944767
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(2S,5E,9E)-5,9-dimethyl-13-oxo-2-propan-2-yltetradeca-5,9-dienal
CID 101253744
(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
CID 16655283
CID 177444269
CID 177444269

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-12-oxotrideca-4,8-dienal?
The IUPAC name of 4,8-dimethyl-12-oxotrideca-4,8-dienal (CID 71381085) is 4,8-dimethyl-12-oxotrideca-4,8-dienal.
What is the SMILES notation for 4,8-dimethyl-12-oxotrideca-4,8-dienal?
The canonical SMILES for 4,8-dimethyl-12-oxotrideca-4,8-dienal is CC(=O)CCC=C(C)CCC=C(C)CCC=O.
What is the InChIKey of 4,8-dimethyl-12-oxotrideca-4,8-dienal?
The InChIKey is WFSIQNRAWDRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(9-5-11-15(3)17)7-4-8-14(2)10-6-12-16/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 4,8-dimethyl-12-oxotrideca-4,8-dienal?
4,8-dimethyl-12-oxotrideca-4,8-dienal has a molecular weight of 236.35 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-12-oxotrideca-4,8-dienal is sourced from PubChem (CID 71381085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).