1-diethoxyphosphorylhexa-1,2-diene

C10H19O3P — CID 12602211

IUPAC1-diethoxyphosphorylhexa-1,2-diene
SMILESCCCC=C=CP(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h8,10H,4-7H2,1-3H3
InChIKeyYWFLTOQRYRTBIM-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.72
Rot. Bonds7

About 1-diethoxyphosphorylhexa-1,2-diene

1-diethoxyphosphorylhexa-1,2-diene (PubChem CID 12602211) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-diethoxyphosphorylhexa-1,2-diene.

Molecular Properties

Compound Name1-diethoxyphosphorylhexa-1,2-diene
PubChem CID12602211
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-diethoxyphosphorylhexa-1,2-diene
SMILESCCCC=C=CP(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h8,10H,4-7H2,1-3H3
InChIKeyYWFLTOQRYRTBIM-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.72
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
(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
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylhexa-1,2-diene?
The IUPAC name of 1-diethoxyphosphorylhexa-1,2-diene (CID 12602211) is 1-diethoxyphosphorylhexa-1,2-diene.
What is the SMILES notation for 1-diethoxyphosphorylhexa-1,2-diene?
The canonical SMILES for 1-diethoxyphosphorylhexa-1,2-diene is CCCC=C=CP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylhexa-1,2-diene?
The InChIKey is YWFLTOQRYRTBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylhexa-1,2-diene?
1-diethoxyphosphorylhexa-1,2-diene has a molecular weight of 218.23 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylhexa-1,2-diene is sourced from PubChem (CID 12602211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).