3,7,11-trimethyldodeca-2,4,6,10-tetraenal

C15H22O — CID 549769

IUPAC3,7,11-trimethyldodeca-2,4,6,10-tetraenal
SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=O
InChIInChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6-7,9-12H,5,8H2,1-4H3
InChIKeyXXDVGEYVTWJVBB-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds6

About 3,7,11-trimethyldodeca-2,4,6,10-tetraenal

3,7,11-trimethyldodeca-2,4,6,10-tetraenal (PubChem CID 549769) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,4,6,10-tetraenal.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,4,6,10-tetraenal
PubChem CID549769
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3,7,11-trimethyldodeca-2,4,6,10-tetraenal
SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=O
InChIInChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6-7,9-12H,5,8H2,1-4H3
InChIKeyXXDVGEYVTWJVBB-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
3,7-dimethylocta-2,6-dienal
CID 8843
(2Z,4E,6E,8E,10E,12E,14E)-7,11,15,19-tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaenyl]icosa-2,4,6,8,10,12,14,18-octaenal
CID 151526164
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,26-dodecaenoic acid
CID 50986066

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-2,4,6,10-tetraenal?
The IUPAC name of 3,7,11-trimethyldodeca-2,4,6,10-tetraenal (CID 549769) is 3,7,11-trimethyldodeca-2,4,6,10-tetraenal.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,4,6,10-tetraenal?
The canonical SMILES for 3,7,11-trimethyldodeca-2,4,6,10-tetraenal is CC(C)=CCCC(C)=CC=CC(C)=CC=O.
What is the InChIKey of 3,7,11-trimethyldodeca-2,4,6,10-tetraenal?
The InChIKey is XXDVGEYVTWJVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6-7,9-12H,5,8H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodeca-2,4,6,10-tetraenal?
3,7,11-trimethyldodeca-2,4,6,10-tetraenal has a molecular weight of 218.34 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,4,6,10-tetraenal is sourced from PubChem (CID 549769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).