(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene

C9H16ClO3P — CID 12644829

IUPAC(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene
SMILESC/C=C(CC)/C(Cl)=C/P(=O)(OC)OC
InChIInChI=1S/C9H16ClO3P/c1-5-8(6-2)9(10)7-14(11,12-3)13-4/h5,7H,6H2,1-4H3/b8-5+,9-7-
InChIKeyWZMAQCDFMOPDRF-KCGQVOQMSA-N
MW238.65 g/mol
LogP3.91
Rot. Bonds5

About (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene

(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene (PubChem CID 12644829) has the molecular formula C9H16ClO3P and a molecular weight of 238.65 g/mol. Its IUPAC name is (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene
PubChem CID12644829
Molecular FormulaC9H16ClO3P
Molecular Weight238.65 g/mol
Exact Mass238.05
IUPAC Name(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene
SMILESC/C=C(CC)/C(Cl)=C/P(=O)(OC)OC
InChIInChI=1S/C9H16ClO3P/c1-5-8(6-2)9(10)7-14(11,12-3)13-4/h5,7H,6H2,1-4H3/b8-5+,9-7-
InChIKeyWZMAQCDFMOPDRF-KCGQVOQMSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide
CID 372644
Dimethyl (2-chloro-4-methylcyclohexa-1,4-dien-1-yl)phosphonate
CID 129768401
4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
CID 10954405
4-Chloro-1-methoxy-3,5-dimethyl-1,2-dihydro-1lambda~5~-phosphinin-1-one
CID 13811068
(4-Chlorocyclohexa-1,3-dien-1-yl)methyl-diethoxyphosphane
CID 144582180
(3Z)-1-chloro-3-(diethoxyphosphorylmethylidene)cyclohexene
CID 10515790
(3E)-1-chloro-3-(diethoxyphosphorylmethylidene)cyclohexene
CID 10659311
4-chloro-1-ethoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
CID 11106545
(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644830
(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene
CID 12644834
(E)-4-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]hept-3-ene
CID 12644835
1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene
CID 12672248

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene?
The IUPAC name of (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene (CID 12644829) is (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene.
What is the SMILES notation for (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene?
The canonical SMILES for (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene is C/C=C(CC)/C(Cl)=C/P(=O)(OC)OC.
What is the InChIKey of (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene?
The InChIKey is WZMAQCDFMOPDRF-KCGQVOQMSA-N. The full InChI is InChI=1S/C9H16ClO3P/c1-5-8(6-2)9(10)7-14(11,12-3)13-4/h5,7H,6H2,1-4H3/b8-5+,9-7-.
What are the key properties of (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene?
(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene has a molecular weight of 238.65 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene is sourced from PubChem (CID 12644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).