3-chloro-2-dimethoxyphosphorylprop-1-ene

C5H10ClO3P — CID 10932117

IUPAC3-chloro-2-dimethoxyphosphorylprop-1-ene
SMILESC=C(CCl)P(=O)(OC)OC
InChIInChI=1S/C5H10ClO3P/c1-5(4-6)10(7,8-2)9-3/h1,4H2,2-3H3
InChIKeyWBRXCDSIBOOXPV-UHFFFAOYSA-N
MW184.56 g/mol
LogP2.22
Rot. Bonds4

About 3-chloro-2-dimethoxyphosphorylprop-1-ene

3-chloro-2-dimethoxyphosphorylprop-1-ene (PubChem CID 10932117) has the molecular formula C5H10ClO3P and a molecular weight of 184.56 g/mol. Its IUPAC name is 3-chloro-2-dimethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name3-chloro-2-dimethoxyphosphorylprop-1-ene
PubChem CID10932117
Molecular FormulaC5H10ClO3P
Molecular Weight184.56 g/mol
Exact Mass184.01
IUPAC Name3-chloro-2-dimethoxyphosphorylprop-1-ene
SMILESC=C(CCl)P(=O)(OC)OC
InChIInChI=1S/C5H10ClO3P/c1-5(4-6)10(7,8-2)9-3/h1,4H2,2-3H3
InChIKeyWBRXCDSIBOOXPV-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.56
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
Dimethyl 2-chloro-2-propenylphosphonate
CID 12599955
Dimethyl 2-chloro-3-butenylphosphonate
CID 129813351
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
Phaxhfhlsukqpn-uhfffaoysa-
CID 12506594
4-Chloro-3-dimethoxyphosphorylbuta-1,2-diene
CID 23262893
2-[2-Chloroethoxy(methyl)phosphoryl]prop-1-ene
CID 85955682
2-Chloroethoxy(prop-1-en-2-yl)phosphinic acid
CID 21569784
3-Chloro-1-diethoxyphosphorylprop-1-ene
CID 53660557
1,2-Dichloro-3-dimethoxyphosphorylbuta-1,3-diene
CID 85443400

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-dimethoxyphosphorylprop-1-ene?
The IUPAC name of 3-chloro-2-dimethoxyphosphorylprop-1-ene (CID 10932117) is 3-chloro-2-dimethoxyphosphorylprop-1-ene.
What is the SMILES notation for 3-chloro-2-dimethoxyphosphorylprop-1-ene?
The canonical SMILES for 3-chloro-2-dimethoxyphosphorylprop-1-ene is C=C(CCl)P(=O)(OC)OC.
What is the InChIKey of 3-chloro-2-dimethoxyphosphorylprop-1-ene?
The InChIKey is WBRXCDSIBOOXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO3P/c1-5(4-6)10(7,8-2)9-3/h1,4H2,2-3H3.
What are the key properties of 3-chloro-2-dimethoxyphosphorylprop-1-ene?
3-chloro-2-dimethoxyphosphorylprop-1-ene has a molecular weight of 184.56 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-dimethoxyphosphorylprop-1-ene is sourced from PubChem (CID 10932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).