2-diethoxyphosphorylhex-1-ene

C10H21O3P — CID 11276041

IUPAC2-diethoxyphosphorylhex-1-ene
SMILESC=C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-8-9-10(4)14(11,12-6-2)13-7-3/h4-9H2,1-3H3
InChIKeyPAPSGGPZFHKACJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.96
Rot. Bonds8

About 2-diethoxyphosphorylhex-1-ene

2-diethoxyphosphorylhex-1-ene (PubChem CID 11276041) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-diethoxyphosphorylhex-1-ene.

Molecular Properties

Compound Name2-diethoxyphosphorylhex-1-ene
PubChem CID11276041
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-diethoxyphosphorylhex-1-ene
SMILESC=C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-8-9-10(4)14(11,12-6-2)13-7-3/h4-9H2,1-3H3
InChIKeyPAPSGGPZFHKACJ-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
Dimethyl 1-octen-2-ylphosphonate
CID 10889429
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
Diethoxyphosphorylcyclopentene
CID 10774533

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylhex-1-ene?
The IUPAC name of 2-diethoxyphosphorylhex-1-ene (CID 11276041) is 2-diethoxyphosphorylhex-1-ene.
What is the SMILES notation for 2-diethoxyphosphorylhex-1-ene?
The canonical SMILES for 2-diethoxyphosphorylhex-1-ene is C=C(CCCC)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylhex-1-ene?
The InChIKey is PAPSGGPZFHKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-8-9-10(4)14(11,12-6-2)13-7-3/h4-9H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylhex-1-ene?
2-diethoxyphosphorylhex-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylhex-1-ene is sourced from PubChem (CID 11276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).