2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane

C8H16ClO2P — CID 54542357

IUPAC2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(CC)OCC(C)Cl
InChIInChI=1S/C8H16ClO2P/c1-4-6-12(10,5-2)11-7-8(3)9/h4,8H,1,5-7H2,2-3H3
InChIKeyZECXUNRUKGAXOZ-UHFFFAOYSA-N
MW210.64 g/mol
LogP3.11
Rot. Bonds6

About 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane

2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane (PubChem CID 54542357) has the molecular formula C8H16ClO2P and a molecular weight of 210.64 g/mol. Its IUPAC name is 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane
PubChem CID54542357
Molecular FormulaC8H16ClO2P
Molecular Weight210.64 g/mol
Exact Mass210.06
IUPAC Name2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(CC)OCC(C)Cl
InChIInChI=1S/C8H16ClO2P/c1-4-6-12(10,5-2)11-7-8(3)9/h4,8H,1,5-7H2,2-3H3
InChIKeyZECXUNRUKGAXOZ-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethoxy)-2,5-dihydro-1H-1lambda5-phosphol-1-one
CID 23270737
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
(E)-3-chloro-1-diethoxyphosphorylbut-1-ene
CID 14111830
Diallyl (3-chloropropyl)phosphonate
CID 129807792
4-Chloro-1-diethoxyphosphorylbuta-1,2-diene
CID 134836676
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
4-Chloro-4-diethoxyphosphorylbut-1-ene
CID 11447487
2-[2-Chloroethoxy(methyl)phosphoryl]prop-1-ene
CID 85955682
1-Chloro-3-[3-chloropropoxy(prop-1-enyl)phosphoryl]oxypropane
CID 237882
1-(2-Chloropropoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 20317637
3-[Bis(2-chloroethoxy)phosphoryl]prop-1-ene
CID 21442637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane?
The IUPAC name of 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane (CID 54542357) is 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane?
The canonical SMILES for 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane is C=CCP(=O)(CC)OCC(C)Cl.
What is the InChIKey of 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane?
The InChIKey is ZECXUNRUKGAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClO2P/c1-4-6-12(10,5-2)11-7-8(3)9/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane?
2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane has a molecular weight of 210.64 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane is sourced from PubChem (CID 54542357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).