(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene

C19H39O3P — CID 134983431

IUPAC(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
SMILESCCCCCCCCCCC(C)/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C19H39O3P/c1-5-8-9-10-11-12-13-14-16-19(4)17-15-18-23(20,21-6-2)22-7-3/h15,17,19H,5-14,16,18H2,1-4H3/b17-15+
InChIKeyRARIVOBMVJGVQZ-BMRADRMJSA-N
MW346.49 g/mol
LogP6.98
Rot. Bonds16

About (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene

(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene (PubChem CID 134983431) has the molecular formula C19H39O3P and a molecular weight of 346.49 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
PubChem CID134983431
Molecular FormulaC19H39O3P
Molecular Weight346.49 g/mol
Exact Mass346.26
IUPAC Name(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
SMILESCCCCCCCCCCC(C)/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C19H39O3P/c1-5-8-9-10-11-12-13-14-16-19(4)17-15-18-23(20,21-6-2)22-7-3/h15,17,19H,5-14,16,18H2,1-4H3/b17-15+
InChIKeyRARIVOBMVJGVQZ-BMRADRMJSA-N
XLogP6.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
CID 44589212
Methyl 9-octadecenyl phosphite
CID 57357331
(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
CID 154714406
Diethyl (9z,12z)-octadeca-9,12-dien-1-ylphosphonate
CID 150186425
6-[(1E,4E)-5-diethoxyphosphoryl-3-methylpenta-1,4-dienyl]-1,5,5-trimethylcyclohexene
CID 122205509
Dibutyl 2-methyl-3-cyclohexenylphosphonate
CID 129813652
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
Dibutyl 2,5-dimethyl-3-cyclohexenylphosphonate
CID 129813737
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
9,9-Bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930337
(Z)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
CID 134982133
(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
CID 135026457

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene (CID 134983431) is (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene is CCCCCCCCCCC(C)/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene?
The InChIKey is RARIVOBMVJGVQZ-BMRADRMJSA-N. The full InChI is InChI=1S/C19H39O3P/c1-5-8-9-10-11-12-13-14-16-19(4)17-15-18-23(20,21-6-2)22-7-3/h15,17,19H,5-14,16,18H2,1-4H3/b17-15+.
What are the key properties of (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene?
(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene has a molecular weight of 346.49 g/mol, XLogP of 6.98, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene is sourced from PubChem (CID 134983431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).