5-[chloro(ethoxy)phosphoryl]pent-1-ene

C7H14ClO2P — CID 10012930

IUPAC5-[chloro(ethoxy)phosphoryl]pent-1-ene
SMILESC=CCCCP(=O)(Cl)OCC
InChIInChI=1S/C7H14ClO2P/c1-3-5-6-7-11(8,9)10-4-2/h3H,1,4-7H2,2H3
InChIKeyBHYMDDMGVIMOOV-UHFFFAOYSA-N
MW196.61 g/mol
LogP3.42
Rot. Bonds6

About 5-[chloro(ethoxy)phosphoryl]pent-1-ene

5-[chloro(ethoxy)phosphoryl]pent-1-ene (PubChem CID 10012930) has the molecular formula C7H14ClO2P and a molecular weight of 196.61 g/mol. Its IUPAC name is 5-[chloro(ethoxy)phosphoryl]pent-1-ene.

Molecular Properties

Compound Name5-[chloro(ethoxy)phosphoryl]pent-1-ene
PubChem CID10012930
Molecular FormulaC7H14ClO2P
Molecular Weight196.61 g/mol
Exact Mass196.04
IUPAC Name5-[chloro(ethoxy)phosphoryl]pent-1-ene
SMILESC=CCCCP(=O)(Cl)OCC
InChIInChI=1S/C7H14ClO2P/c1-3-5-6-7-11(8,9)10-4-2/h3H,1,4-7H2,2H3
InChIKeyBHYMDDMGVIMOOV-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl allylphosphonate
CID 573014
Diethyl 3-butenylphosphonate
CID 10997850
1-Ethoxy-2,3-dihydro-1H-1lambda~5~-phosphol-1-one
CID 120335
2-Phospholene, 1-propoxy-, 1-oxide
CID 204465
Diethyl (1E)-prop-1-en-1-ylphosphonate
CID 5702572
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Fosfomycin Impurity 18
CID 12487674
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(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 5-[chloro(ethoxy)phosphoryl]pent-1-ene?
The IUPAC name of 5-[chloro(ethoxy)phosphoryl]pent-1-ene (CID 10012930) is 5-[chloro(ethoxy)phosphoryl]pent-1-ene.
What is the SMILES notation for 5-[chloro(ethoxy)phosphoryl]pent-1-ene?
The canonical SMILES for 5-[chloro(ethoxy)phosphoryl]pent-1-ene is C=CCCCP(=O)(Cl)OCC.
What is the InChIKey of 5-[chloro(ethoxy)phosphoryl]pent-1-ene?
The InChIKey is BHYMDDMGVIMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO2P/c1-3-5-6-7-11(8,9)10-4-2/h3H,1,4-7H2,2H3.
What are the key properties of 5-[chloro(ethoxy)phosphoryl]pent-1-ene?
5-[chloro(ethoxy)phosphoryl]pent-1-ene has a molecular weight of 196.61 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(ethoxy)phosphoryl]pent-1-ene is sourced from PubChem (CID 10012930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).