1,1-bis(diethoxyphosphoryl)pent-1-ene

C13H28O6P2 — CID 11078383

IUPAC1,1-bis(diethoxyphosphoryl)pent-1-ene
SMILESCCCC=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H28O6P2/c1-6-11-12-13(20(14,16-7-2)17-8-3)21(15,18-9-4)19-10-5/h12H,6-11H2,1-5H3
InChIKeyIOVBXYGZISGLPZ-UHFFFAOYSA-N
MW342.31 g/mol
LogP5.16
Rot. Bonds12

About 1,1-bis(diethoxyphosphoryl)pent-1-ene

1,1-bis(diethoxyphosphoryl)pent-1-ene (PubChem CID 11078383) has the molecular formula C13H28O6P2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)pent-1-ene.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)pent-1-ene
PubChem CID11078383
Molecular FormulaC13H28O6P2
Molecular Weight342.31 g/mol
Exact Mass342.14
IUPAC Name1,1-bis(diethoxyphosphoryl)pent-1-ene
SMILESCCCC=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H28O6P2/c1-6-11-12-13(20(14,16-7-2)17-8-3)21(15,18-9-4)19-10-5/h12H,6-11H2,1-5H3
InChIKeyIOVBXYGZISGLPZ-UHFFFAOYSA-N
XLogP5.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.31
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
1,1-Bis(diethoxyphosphoryl)prop-1-ene
CID 10245096
4,4-Bis(diethoxyphosphoryl)but-1-ene
CID 11067413
2-Diethoxyphosphorylbut-1-ene
CID 11844799
6,6-Bis(diethoxyphosphoryl)hex-1-ene
CID 11462423
4-Diethoxyphosphorylpenta-1,2-diene
CID 12534453
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene
CID 13172414
2-Diethoxyphosphorylbut-3-en-2-yl diethyl phosphate
CID 13172423
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)pent-1-ene?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)pent-1-ene (CID 11078383) is 1,1-bis(diethoxyphosphoryl)pent-1-ene.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)pent-1-ene?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)pent-1-ene is CCCC=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)pent-1-ene?
The InChIKey is IOVBXYGZISGLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O6P2/c1-6-11-12-13(20(14,16-7-2)17-8-3)21(15,18-9-4)19-10-5/h12H,6-11H2,1-5H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)pent-1-ene?
1,1-bis(diethoxyphosphoryl)pent-1-ene has a molecular weight of 342.31 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)pent-1-ene is sourced from PubChem (CID 11078383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).