(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate

C9H17ClO4P- — CID 23416640

IUPAC(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate
SMILESC/C([O-])=C(\Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H18ClO4P/c1-6(2)13-15(12,14-7(3)4)9(10)8(5)11/h6-7,11H,1-5H3/p-1/b9-8-
InChIKeyVCBGOAQOYHXVOQ-HJWRWDBZSA-M
MW255.66 g/mol
LogP2.82
Rot. Bonds5

About (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate

(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate (PubChem CID 23416640) has the molecular formula C9H17ClO4P- and a molecular weight of 255.66 g/mol. Its IUPAC name is (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate.

Molecular Properties

Compound Name(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate
PubChem CID23416640
Molecular FormulaC9H17ClO4P-
Molecular Weight255.66 g/mol
Exact Mass255.06
IUPAC Name(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate
SMILESC/C([O-])=C(\Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H18ClO4P/c1-6(2)13-15(12,14-7(3)4)9(10)8(5)11/h6-7,11H,1-5H3/p-1/b9-8-
InChIKeyVCBGOAQOYHXVOQ-HJWRWDBZSA-M
XLogP2.82
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

TetraiSopropyl (chloromethylene)bis(phosphonate)
CID 13479864
1-Chloro-1-diethoxyphosphoryl-3-methylbuta-1,2-diene
CID 11020980
2-[1-Chloroethenyl(propan-2-yloxy)phosphoryl]oxypropane
CID 85941489
2-Chloroallyl diisopropyl phosphate
CID 129809081
2-Chloro-3-dipropoxyphosphorylbuta-1,3-diene
CID 12506596
Cwjkfjkzwdkigt-uhfffaoysa-
CID 13377810
Dibutan-2-yl 2,2-dichloroethenyl phosphate
CID 20396735
3-Chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene
CID 156773784
2-Chloro-1-di(propan-2-yloxy)phosphoryl-3-methylbut-2-ene
CID 12599951
(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenol
CID 13428118
1,1-Dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene
CID 23261074
(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 23272776

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate?
The IUPAC name of (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate (CID 23416640) is (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate.
What is the SMILES notation for (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate?
The canonical SMILES for (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate is C/C([O-])=C(\Cl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate?
The InChIKey is VCBGOAQOYHXVOQ-HJWRWDBZSA-M. The full InChI is InChI=1S/C9H18ClO4P/c1-6(2)13-15(12,14-7(3)4)9(10)8(5)11/h6-7,11H,1-5H3/p-1/b9-8-.
What are the key properties of (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate?
(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate has a molecular weight of 255.66 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate is sourced from PubChem (CID 23416640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).