2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one

C19H32O — CID 162269261

IUPAC2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)CC(C)C
InChIInChI=1S/C19H32O/c1-15(2)9-7-10-17(5)11-8-12-18(6)14-19(20)13-16(3)4/h9,11,14,16H,7-8,10,12-13H2,1-6H3
InChIKeyDDHYRUJPPKYGKF-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.02
Rot. Bonds9

About 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one

2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one (PubChem CID 162269261) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one.

Molecular Properties

Compound Name2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one
PubChem CID162269261
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)CC(C)C
InChIInChI=1S/C19H32O/c1-15(2)9-7-10-17(5)11-8-12-18(6)14-19(20)13-16(3)4/h9,11,14,16H,7-8,10,12-13H2,1-6H3
InChIKeyDDHYRUJPPKYGKF-UHFFFAOYSA-N
XLogP6.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(5Z)-6,10-dimethyl-4-oxoundeca-5,9-dien-2-yl]propanedinitrile
CID 101233737
2,8,12-trimethyltrideca-5,7,11-trien-4-one
CID 54329025
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 3-methylbutanoate
CID 146825846
3,7,11,15-tetramethyl-N-(1-sulfanylethyl)hexadeca-2,6,10,14-tetraenamide
CID 57031108
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one?
The IUPAC name of 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one (CID 162269261) is 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one.
What is the SMILES notation for 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one?
The canonical SMILES for 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one is CC(C)=CCCC(C)=CCCC(C)=CC(=O)CC(C)C.
What is the InChIKey of 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one?
The InChIKey is DDHYRUJPPKYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-15(2)9-7-10-17(5)11-8-12-18(6)14-19(20)13-16(3)4/h9,11,14,16H,7-8,10,12-13H2,1-6H3.
What are the key properties of 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one?
2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one has a molecular weight of 276.46 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one is sourced from PubChem (CID 162269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).