1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene

C10H18ClO3P — CID 134987925

IUPAC1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
SMILESCCOP(=O)(OCC)C(Cl)=C=C(C)CC
InChIInChI=1S/C10H18ClO3P/c1-5-9(4)8-10(11)15(12,13-6-2)14-7-3/h5-7H2,1-4H3
InChIKeyLUAUQBBJOVWAGO-UHFFFAOYSA-N
MW252.68 g/mol
LogP4.29
Rot. Bonds6

About 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene

1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene (PubChem CID 134987925) has the molecular formula C10H18ClO3P and a molecular weight of 252.68 g/mol. Its IUPAC name is 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene.

Molecular Properties

Compound Name1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
PubChem CID134987925
Molecular FormulaC10H18ClO3P
Molecular Weight252.68 g/mol
Exact Mass252.07
IUPAC Name1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
SMILESCCOP(=O)(OCC)C(Cl)=C=C(C)CC
InChIInChI=1S/C10H18ClO3P/c1-5-9(4)8-10(11)15(12,13-6-2)14-7-3/h5-7H2,1-4H3
InChIKeyLUAUQBBJOVWAGO-UHFFFAOYSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[Chloro(diethoxyphosphoryl)methylidene]cyclohexane
CID 10355595
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
1-Chloro-1-diethoxyphosphoryl-3-methylbuta-1,2-diene
CID 11020980
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
(2-Chloro-2-diethoxyphosphorylethenylidene)cyclohexane
CID 134922007
2-Chloro-1-diethoxyphosphoryl-3-methylbut-2-ene
CID 12599948
1-Chloro-1-diethoxyphosphorylbut-1-ene
CID 176894708
(E)-1-chloro-1-diethoxyphosphorylpent-1-ene
CID 10083031
1-Chloro-4-diethoxyphosphoryl-2-methylhepta-2,3-diene
CID 11403261
1-Chloro-4-diethoxyphosphoryl-2-methylocta-2,3-diene
CID 12007355
Diethyl (3-methylpenta-1,2-dien-1-yl)phosphonate
CID 12525104

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
The IUPAC name of 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene (CID 134987925) is 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene.
What is the SMILES notation for 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
The canonical SMILES for 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene is CCOP(=O)(OCC)C(Cl)=C=C(C)CC.
What is the InChIKey of 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
The InChIKey is LUAUQBBJOVWAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClO3P/c1-5-9(4)8-10(11)15(12,13-6-2)14-7-3/h5-7H2,1-4H3.
What are the key properties of 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene?
1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene has a molecular weight of 252.68 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene is sourced from PubChem (CID 134987925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).