4-diethoxyphosphoryl-5-iodopent-1-ene

C9H18IO3P — CID 54108653

IUPAC4-diethoxyphosphoryl-5-iodopent-1-ene
SMILESC=CCC(CI)P(=O)(OCC)OCC
InChIInChI=1S/C9H18IO3P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyNFNKECSCJNBMRK-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.63
Rot. Bonds8

About 4-diethoxyphosphoryl-5-iodopent-1-ene

4-diethoxyphosphoryl-5-iodopent-1-ene (PubChem CID 54108653) has the molecular formula C9H18IO3P and a molecular weight of 332.12 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-iodopent-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-iodopent-1-ene
PubChem CID54108653
Molecular FormulaC9H18IO3P
Molecular Weight332.12 g/mol
Exact Mass332.00
IUPAC Name4-diethoxyphosphoryl-5-iodopent-1-ene
SMILESC=CCC(CI)P(=O)(OCC)OCC
InChIInChI=1S/C9H18IO3P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyNFNKECSCJNBMRK-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
(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-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223
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
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-iodopent-1-ene?
The IUPAC name of 4-diethoxyphosphoryl-5-iodopent-1-ene (CID 54108653) is 4-diethoxyphosphoryl-5-iodopent-1-ene.
What is the SMILES notation for 4-diethoxyphosphoryl-5-iodopent-1-ene?
The canonical SMILES for 4-diethoxyphosphoryl-5-iodopent-1-ene is C=CCC(CI)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-5-iodopent-1-ene?
The InChIKey is NFNKECSCJNBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IO3P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 4-diethoxyphosphoryl-5-iodopent-1-ene?
4-diethoxyphosphoryl-5-iodopent-1-ene has a molecular weight of 332.12 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-iodopent-1-ene is sourced from PubChem (CID 54108653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).