4-diethoxyphosphorylpenta-1,2-diene

C9H17O3P — CID 12534453

IUPAC4-diethoxyphosphorylpenta-1,2-diene
SMILESC=C=CC(C)P(=O)(OCC)OCC
InChIInChI=1S/C9H17O3P/c1-5-8-9(4)13(10,11-6-2)12-7-3/h8-9H,1,6-7H2,2-4H3
InChIKeyJFHWDMWKDRSQQC-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.98
Rot. Bonds6

About 4-diethoxyphosphorylpenta-1,2-diene

4-diethoxyphosphorylpenta-1,2-diene (PubChem CID 12534453) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-diethoxyphosphorylpenta-1,2-diene.

Molecular Properties

Compound Name4-diethoxyphosphorylpenta-1,2-diene
PubChem CID12534453
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name4-diethoxyphosphorylpenta-1,2-diene
SMILESC=C=CC(C)P(=O)(OCC)OCC
InChIInChI=1S/C9H17O3P/c1-5-8-9(4)13(10,11-6-2)12-7-3/h8-9H,1,6-7H2,2-4H3
InChIKeyJFHWDMWKDRSQQC-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.98
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

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
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
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphorylpenta-1,2-diene?
The IUPAC name of 4-diethoxyphosphorylpenta-1,2-diene (CID 12534453) is 4-diethoxyphosphorylpenta-1,2-diene.
What is the SMILES notation for 4-diethoxyphosphorylpenta-1,2-diene?
The canonical SMILES for 4-diethoxyphosphorylpenta-1,2-diene is C=C=CC(C)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphorylpenta-1,2-diene?
The InChIKey is JFHWDMWKDRSQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-5-8-9(4)13(10,11-6-2)12-7-3/h8-9H,1,6-7H2,2-4H3.
What are the key properties of 4-diethoxyphosphorylpenta-1,2-diene?
4-diethoxyphosphorylpenta-1,2-diene has a molecular weight of 204.21 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphorylpenta-1,2-diene is sourced from PubChem (CID 12534453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).