(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene

C10H20ClO4P — CID 23273001

IUPAC(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene
SMILESCCOP(=O)(OCC)/C(=C(/Cl)OC)C(C)C
InChIInChI=1S/C10H20ClO4P/c1-6-14-16(12,15-7-2)9(8(3)4)10(11)13-5/h8H,6-7H2,1-5H3/b10-9-
InChIKeyKDADMBDLOZXPMI-KTKRTIGZSA-N
MW270.69 g/mol
LogP3.96
Rot. Bonds7

About (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene

(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene (PubChem CID 23273001) has the molecular formula C10H20ClO4P and a molecular weight of 270.69 g/mol. Its IUPAC name is (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene
PubChem CID23273001
Molecular FormulaC10H20ClO4P
Molecular Weight270.69 g/mol
Exact Mass270.08
IUPAC Name(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene
SMILESCCOP(=O)(OCC)/C(=C(/Cl)OC)C(C)C
InChIInChI=1S/C10H20ClO4P/c1-6-14-16(12,15-7-2)9(8(3)4)10(11)13-5/h8H,6-7H2,1-5H3/b10-9-
InChIKeyKDADMBDLOZXPMI-KTKRTIGZSA-N
XLogP3.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 53.96
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

chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury
CID 12541702
(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 23272776
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene?
The IUPAC name of (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene (CID 23273001) is (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene?
The canonical SMILES for (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene is CCOP(=O)(OCC)/C(=C(/Cl)OC)C(C)C.
What is the InChIKey of (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene?
The InChIKey is KDADMBDLOZXPMI-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20ClO4P/c1-6-14-16(12,15-7-2)9(8(3)4)10(11)13-5/h8H,6-7H2,1-5H3/b10-9-.
What are the key properties of (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene?
(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene has a molecular weight of 270.69 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene is sourced from PubChem (CID 23273001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).