(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane

C24H43O2P3 — CID 162284336

IUPAC(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane
SMILESCCC=CCC=CCCCC(C=CC=CC=CC(CCCCCC)OP)OPP
InChIInChI=1S/C24H43O2P3/c1-3-5-7-9-10-11-12-17-21-24(26-29-28)22-18-14-13-16-20-23(25-27)19-15-8-6-4-2/h5,7,10-11,13-14,16,18,20,22-24,29H,3-4,6,8-9,12,15,17,19,21,27-28H2,1-2H3
InChIKeyVHVKGRQYXHQBCF-UHFFFAOYSA-N
MW456.53 g/mol
LogP8.65
Rot. Bonds19

About (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane

(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane (PubChem CID 162284336) has the molecular formula C24H43O2P3 and a molecular weight of 456.53 g/mol. Its IUPAC name is (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane.

Molecular Properties

Compound Name(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane
PubChem CID162284336
Molecular FormulaC24H43O2P3
Molecular Weight456.53 g/mol
Exact Mass456.25
IUPAC Name(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane
SMILESCCC=CCC=CCCCC(C=CC=CC=CC(CCCCCC)OP)OPP
InChIInChI=1S/C24H43O2P3/c1-3-5-7-9-10-11-12-17-21-24(26-29-28)22-18-14-13-16-20-23(25-27)19-15-8-6-4-2/h5,7,10-11,13-14,16,18,20,22-24,29H,3-4,6,8-9,12,15,17,19,21,27-28H2,1-2H3
InChIKeyVHVKGRQYXHQBCF-UHFFFAOYSA-N
XLogP8.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane;(2-methyl-1-pent-2-enyl-11-phosphanyloxyheptadeca-3,5,7,9-tetraenoxy)-bis(phosphanyl)phosphane;[(3E,5E,7Z,9E)-2-methyl-1-[(Z)-pent-2-enyl]-11-phosphanyloxyheptadeca-3,5,7,9-tetraenoxy]-bis(phosphanyl)phosphane;[(2E,4E,6Z,8E,12Z)-10-methyl-1-(1-phosphanyloxyheptyl)pentadeca-2,4,6,8,12-pentaenoxy]-phosphanylphosphane;[10-methyl-1-(1-phosphanyloxyheptyl)pentadeca-2,4,6,8,12-pentaenoxy]-phosphanylphosphane;[(2Z,4E,6E)-1-[(2Z,5Z)-octa-2,5-dienyl]-8-phosphanyloxytetradeca-2,4,6-trienoxy]-phosphanylphosphane
CID 162284333
11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one
CID 90985797
[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane
CID 121296204
(8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoate
CID 139036272
henicosa-3,6-diene
CID 72727393
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
hexadeca-3,6,9-triene
CID 56627141
sodium 15-hydroperoxyicosa-5,8,11,13-tetraenoate
CID 141454510
heptadeca-9,11,14-trien-8-ol
CID 165117059
tetratriaconta-3,6,25,28-tetraen-16-yl formate
CID 91592372
(10Z,13Z,16Z,19Z)-9-[(Z)-henicos-11-enoyl]oxydocosa-10,13,16,19-tetraenoic acid
CID 138248754

Frequently Asked Questions

What is the IUPAC name of (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane?
The IUPAC name of (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane (CID 162284336) is (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane.
What is the SMILES notation for (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane?
The canonical SMILES for (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane is CCC=CCC=CCCCC(C=CC=CC=CC(CCCCCC)OP)OPP.
What is the InChIKey of (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane?
The InChIKey is VHVKGRQYXHQBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43O2P3/c1-3-5-7-9-10-11-12-17-21-24(26-29-28)22-18-14-13-16-20-23(25-27)19-15-8-6-4-2/h5,7,10-11,13-14,16,18,20,22-24,29H,3-4,6,8-9,12,15,17,19,21,27-28H2,1-2H3.
What are the key properties of (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane?
(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane has a molecular weight of 456.53 g/mol, XLogP of 8.65, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane is sourced from PubChem (CID 162284336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).