(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one

C17H30O — CID 20591839

IUPAC(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
SMILESCC(C)=CCC/C(C)=C/CCC(C)C(=O)C(C)C
InChIInChI=1S/C17H30O/c1-13(2)9-7-10-15(5)11-8-12-16(6)17(18)14(3)4/h9,11,14,16H,7-8,10,12H2,1-6H3/b15-11+
InChIKeyYMOWUWRMOLFKEI-RVDMUPIBSA-N
MW250.43 g/mol
LogP5.32
Rot. Bonds8

About (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one

(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one (PubChem CID 20591839) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one.

Molecular Properties

Compound Name(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
PubChem CID20591839
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
SMILESCC(C)=CCC/C(C)=C/CCC(C)C(=O)C(C)C
InChIInChI=1S/C17H30O/c1-13(2)9-7-10-15(5)11-8-12-16(6)17(18)14(3)4/h9,11,14,16H,7-8,10,12H2,1-6H3/b15-11+
InChIKeyYMOWUWRMOLFKEI-RVDMUPIBSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
2,8,12-trimethyl-3-methylidenetrideca-7,11-dien-4-ol
CID 163035462
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181

Frequently Asked Questions

What is the IUPAC name of (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one?
The IUPAC name of (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one (CID 20591839) is (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one.
What is the SMILES notation for (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one?
The canonical SMILES for (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one is CC(C)=CCC/C(C)=C/CCC(C)C(=O)C(C)C.
What is the InChIKey of (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one?
The InChIKey is YMOWUWRMOLFKEI-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H30O/c1-13(2)9-7-10-15(5)11-8-12-16(6)17(18)14(3)4/h9,11,14,16H,7-8,10,12H2,1-6H3/b15-11+.
What are the key properties of (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one?
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one has a molecular weight of 250.43 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one is sourced from PubChem (CID 20591839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).