4-diethoxyphosphorylhex-1-ene

C10H21O3P — CID 12533100

IUPAC4-diethoxyphosphorylhex-1-ene
SMILESC=CCC(CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h5,10H,1,6-9H2,2-4H3
InChIKeyGHSIANPDSBXRHF-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.61
Rot. Bonds8

About 4-diethoxyphosphorylhex-1-ene

4-diethoxyphosphorylhex-1-ene (PubChem CID 12533100) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-diethoxyphosphorylhex-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphorylhex-1-ene
PubChem CID12533100
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name4-diethoxyphosphorylhex-1-ene
SMILESC=CCC(CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h5,10H,1,6-9H2,2-4H3
InChIKeyGHSIANPDSBXRHF-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphinic acid, diallyl-, propyl ester
CID 120311
Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
Phosphonic acid, allyl-, dibutyl ester
CID 199692
Phosphonic acid, propyl-, diallyl ester
CID 3056462
Diethyl 3-butenylphosphonate
CID 10997850
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
Hex-5-enyl(methoxy)phosphinic acid
CID 90684383

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphorylhex-1-ene?
The IUPAC name of 4-diethoxyphosphorylhex-1-ene (CID 12533100) is 4-diethoxyphosphorylhex-1-ene.
What is the SMILES notation for 4-diethoxyphosphorylhex-1-ene?
The canonical SMILES for 4-diethoxyphosphorylhex-1-ene is C=CCC(CC)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphorylhex-1-ene?
The InChIKey is GHSIANPDSBXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 4-diethoxyphosphorylhex-1-ene?
4-diethoxyphosphorylhex-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphorylhex-1-ene is sourced from PubChem (CID 12533100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).