(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene

C10H20ClO3P — CID 15351054

IUPAC(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene
SMILESCCOP(=O)(OCC)/C(Cl)=C/C(C)CC
InChIInChI=1S/C10H20ClO3P/c1-5-9(4)8-10(11)15(12,13-6-2)14-7-3/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyKJOGJSXDVQTXHP-CSKARUKUSA-N
MW254.69 g/mol
LogP4.38
Rot. Bonds7

About (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene

(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene (PubChem CID 15351054) has the molecular formula C10H20ClO3P and a molecular weight of 254.69 g/mol. Its IUPAC name is (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene
PubChem CID15351054
Molecular FormulaC10H20ClO3P
Molecular Weight254.69 g/mol
Exact Mass254.08
IUPAC Name(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene
SMILESCCOP(=O)(OCC)/C(Cl)=C/C(C)CC
InChIInChI=1S/C10H20ClO3P/c1-5-9(4)8-10(11)15(12,13-6-2)14-7-3/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyKJOGJSXDVQTXHP-CSKARUKUSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene?
The IUPAC name of (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene (CID 15351054) is (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene.
What is the SMILES notation for (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene?
The canonical SMILES for (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene is CCOP(=O)(OCC)/C(Cl)=C/C(C)CC.
What is the InChIKey of (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene?
The InChIKey is KJOGJSXDVQTXHP-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20ClO3P/c1-5-9(4)8-10(11)15(12,13-6-2)14-7-3/h8-9H,5-7H2,1-4H3/b10-8+.
What are the key properties of (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene?
(Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene has a molecular weight of 254.69 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1-diethoxyphosphoryl-3-methylpent-1-ene is sourced from PubChem (CID 15351054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).