butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium

C19H36P+ — CID 158266649

IUPACbutyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
SMILESCCCC[PH2+]CC=C(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H35P/c1-6-7-15-20-16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,20H,6-9,11,13,15-16H2,1-5H3/p+1/b18-12+,19-14?
InChIKeyGININTQJQDVHBQ-KNUFITIJSA-O
MW295.47 g/mol
LogP6.62
Rot. Bonds11

About butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium

butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium (PubChem CID 158266649) has the molecular formula C19H36P+ and a molecular weight of 295.47 g/mol. Its IUPAC name is butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium.

Molecular Properties

Compound Namebutyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
PubChem CID158266649
Molecular FormulaC19H36P+
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Namebutyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
SMILESCCCC[PH2+]CC=C(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H35P/c1-6-7-15-20-16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,20H,6-9,11,13,15-16H2,1-5H3/p+1/b18-12+,19-14?
InChIKeyGININTQJQDVHBQ-KNUFITIJSA-O
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyltetradeca-2,6-diene
CID 57189781
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
(6E,10E)-2,6,10-trimethylnonacosa-2,6,10-trien-14-one
CID 11442518
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623

Frequently Asked Questions

What is the IUPAC name of butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
The IUPAC name of butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium (CID 158266649) is butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium.
What is the SMILES notation for butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
The canonical SMILES for butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium is CCCC[PH2+]CC=C(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
The InChIKey is GININTQJQDVHBQ-KNUFITIJSA-O. The full InChI is InChI=1S/C19H35P/c1-6-7-15-20-16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,20H,6-9,11,13,15-16H2,1-5H3/p+1/b18-12+,19-14?.
What are the key properties of butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium has a molecular weight of 295.47 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium is sourced from PubChem (CID 158266649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).