(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene

C5H8Cl3OP — CID 12540868

IUPAC(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene
SMILESC/C(=C\CCl)CP(=O)(Cl)Cl
InChIInChI=1S/C5H8Cl3OP/c1-5(2-3-6)4-10(7,8)9/h2H,3-4H2,1H3/b5-2+
InChIKeyYMAHYUSEJYMOTB-GORDUTHDSA-N
MW221.45 g/mol
LogP3.84
Rot. Bonds3

About (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene

(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene (PubChem CID 12540868) has the molecular formula C5H8Cl3OP and a molecular weight of 221.45 g/mol. Its IUPAC name is (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene
PubChem CID12540868
Molecular FormulaC5H8Cl3OP
Molecular Weight221.45 g/mol
Exact Mass219.94
IUPAC Name(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene
SMILESC/C(=C\CCl)CP(=O)(Cl)Cl
InChIInChI=1S/C5H8Cl3OP/c1-5(2-3-6)4-10(7,8)9/h2H,3-4H2,1H3/b5-2+
InChIKeyYMAHYUSEJYMOTB-GORDUTHDSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methylbut-2-en-1-ol
CID 71386874
5-dichlorophosphoryl-2-methylpent-2-ene
CID 171108038
(E)-1-chloro-5-methoxy-3-methylpent-2-ene
CID 13181461
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
4-chlorobut-2-en-2-yl(trimethyl)silane
CID 71434756
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
CID 140516361
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583
1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene
CID 158968925
(E)-2,2,6-trichloro-4-methylhex-4-enenitrile
CID 14146953
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
9-chloro-3,3,7-trimethylnona-4,7-dienal
CID 71320784

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene?
The IUPAC name of (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene (CID 12540868) is (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene.
What is the SMILES notation for (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene?
The canonical SMILES for (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene is C/C(=C\CCl)CP(=O)(Cl)Cl.
What is the InChIKey of (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene?
The InChIKey is YMAHYUSEJYMOTB-GORDUTHDSA-N. The full InChI is InChI=1S/C5H8Cl3OP/c1-5(2-3-6)4-10(7,8)9/h2H,3-4H2,1H3/b5-2+.
What are the key properties of (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene?
(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene has a molecular weight of 221.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene is sourced from PubChem (CID 12540868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).