2-diethoxyphosphorylhexa-2,3-diene

C10H19O3P — CID 135064822

IUPAC2-diethoxyphosphorylhexa-2,3-diene
SMILESCCC=C=C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-5-8-9-10(4)14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3
InChIKeyICGRUBFVBQQEEF-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.72
Rot. Bonds6

About 2-diethoxyphosphorylhexa-2,3-diene

2-diethoxyphosphorylhexa-2,3-diene (PubChem CID 135064822) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-diethoxyphosphorylhexa-2,3-diene.

Molecular Properties

Compound Name2-diethoxyphosphorylhexa-2,3-diene
PubChem CID135064822
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name2-diethoxyphosphorylhexa-2,3-diene
SMILESCCC=C=C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-5-8-9-10(4)14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3
InChIKeyICGRUBFVBQQEEF-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(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
1,1-Bis(diethoxyphosphoryl)prop-1-ene
CID 10245096
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5,5-Dimethylhexa-2,3-dienyl diethyl phosphate
CID 11242468
5-Diethoxyphosphorylhex-1-ene
CID 85795847
Diethyl 5-methyl-2,3-hexadien-1-yl phosphate
CID 85822806
6-Diethoxyphosphorylhex-1-ene
CID 10466042

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylhexa-2,3-diene?
The IUPAC name of 2-diethoxyphosphorylhexa-2,3-diene (CID 135064822) is 2-diethoxyphosphorylhexa-2,3-diene.
What is the SMILES notation for 2-diethoxyphosphorylhexa-2,3-diene?
The canonical SMILES for 2-diethoxyphosphorylhexa-2,3-diene is CCC=C=C(C)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylhexa-2,3-diene?
The InChIKey is ICGRUBFVBQQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-5-8-9-10(4)14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylhexa-2,3-diene?
2-diethoxyphosphorylhexa-2,3-diene has a molecular weight of 218.23 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylhexa-2,3-diene is sourced from PubChem (CID 135064822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).