diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane

C19H31O2P — CID 89284124

IUPACdiethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane
SMILESCCOP(C=C=C(C)/C=C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C19H31O2P/c1-7-20-22(21-8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h10-11,13-14,16H,7-9,12H2,1-6H3/b14-10+,18-13+
InChIKeyLEQCKRVZDAIYSQ-RQGHQXAZSA-N
MW322.43 g/mol
LogP6.68
Rot. Bonds10

About diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane

diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane (PubChem CID 89284124) has the molecular formula C19H31O2P and a molecular weight of 322.43 g/mol. Its IUPAC name is diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane.

Molecular Properties

Compound Namediethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane
PubChem CID89284124
Molecular FormulaC19H31O2P
Molecular Weight322.43 g/mol
Exact Mass322.21
IUPAC Namediethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane
SMILESCCOP(C=C=C(C)/C=C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C19H31O2P/c1-7-20-22(21-8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h10-11,13-14,16H,7-9,12H2,1-6H3/b14-10+,18-13+
InChIKeyLEQCKRVZDAIYSQ-RQGHQXAZSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane?
The IUPAC name of diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane (CID 89284124) is diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane.
What is the SMILES notation for diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane?
The canonical SMILES for diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane is CCOP(C=C=C(C)/C=C/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane?
The InChIKey is LEQCKRVZDAIYSQ-RQGHQXAZSA-N. The full InChI is InChI=1S/C19H31O2P/c1-7-20-22(21-8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h10-11,13-14,16H,7-9,12H2,1-6H3/b14-10+,18-13+.
What are the key properties of diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane?
diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane has a molecular weight of 322.43 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane is sourced from PubChem (CID 89284124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).