(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate

C8H15ClO4P- — CID 23416636

IUPAC(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate
SMILESCC(C)OP(=O)(OC(C)C)/C(Cl)=C/[O-]
InChIInChI=1S/C8H16ClO4P/c1-6(2)12-14(11,8(9)5-10)13-7(3)4/h5-7,10H,1-4H3/p-1/b8-5+
InChIKeyVXGIJDGJSWUROT-VMPITWQZSA-M
MW241.63 g/mol
LogP2.43
Rot. Bonds5

About (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate

(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate (PubChem CID 23416636) has the molecular formula C8H15ClO4P- and a molecular weight of 241.63 g/mol. Its IUPAC name is (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate.

Molecular Properties

Compound Name(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate
PubChem CID23416636
Molecular FormulaC8H15ClO4P-
Molecular Weight241.63 g/mol
Exact Mass241.04
IUPAC Name(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate
SMILESCC(C)OP(=O)(OC(C)C)/C(Cl)=C/[O-]
InChIInChI=1S/C8H16ClO4P/c1-6(2)12-14(11,8(9)5-10)13-7(3)4/h5-7,10H,1-4H3/p-1/b8-5+
InChIKeyVXGIJDGJSWUROT-VMPITWQZSA-M
XLogP2.43
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate?
The IUPAC name of (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate (CID 23416636) is (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate.
What is the SMILES notation for (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate?
The canonical SMILES for (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate is CC(C)OP(=O)(OC(C)C)/C(Cl)=C/[O-].
What is the InChIKey of (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate?
The InChIKey is VXGIJDGJSWUROT-VMPITWQZSA-M. The full InChI is InChI=1S/C8H16ClO4P/c1-6(2)12-14(11,8(9)5-10)13-7(3)4/h5-7,10H,1-4H3/p-1/b8-5+.
What are the key properties of (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate?
(Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate has a molecular weight of 241.63 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-2-di(propan-2-yloxy)phosphorylethenolate is sourced from PubChem (CID 23416636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).