phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane

C15H26OP2 — CID 123632113

IUPACphosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane
SMILESCC(C)=CCCC(C)=CCCC(C)=CCPP=O
InChIInChI=1S/C15H26OP2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-18-16/h7,9,11,17H,5-6,8,10,12H2,1-4H3
InChIKeySEFYAEUJGZHPPN-UHFFFAOYSA-N
MW284.32 g/mol
LogP6.29
Rot. Bonds9

About phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane

phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane (PubChem CID 123632113) has the molecular formula C15H26OP2 and a molecular weight of 284.32 g/mol. Its IUPAC name is phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane.

Molecular Properties

Compound Namephosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane
PubChem CID123632113
Molecular FormulaC15H26OP2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Namephosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane
SMILESCC(C)=CCCC(C)=CCCC(C)=CCPP=O
InChIInChI=1S/C15H26OP2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-18-16/h7,9,11,17H,5-6,8,10,12H2,1-4H3
InChIKeySEFYAEUJGZHPPN-UHFFFAOYSA-N
XLogP6.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.32
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589

Frequently Asked Questions

What is the IUPAC name of phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane?
The IUPAC name of phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane (CID 123632113) is phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane.
What is the SMILES notation for phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane?
The canonical SMILES for phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane is CC(C)=CCCC(C)=CCCC(C)=CCPP=O.
What is the InChIKey of phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane?
The InChIKey is SEFYAEUJGZHPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OP2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-18-16/h7,9,11,17H,5-6,8,10,12H2,1-4H3.
What are the key properties of phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane?
phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane has a molecular weight of 284.32 g/mol, XLogP of 6.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoroso(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphane is sourced from PubChem (CID 123632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).