1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)

C10H20Cl4O6P2+2 — CID 160800513

IUPAC1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)
SMILESClCCC(CCCl)=C(CCCl)CCCl.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C10H16Cl4.2HO3P/c11-5-1-9(2-6-12)10(3-7-13)4-8-14;2*1-4(2)3/h1-8H2;2*(H-,1,2,3)/p+2
InChIKeyGNZTUXIPOVUGKO-UHFFFAOYSA-P
MW440.02 g/mol
LogP4.06
Rot. Bonds8

About 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)

1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium) (PubChem CID 160800513) has the molecular formula C10H20Cl4O6P2+2 and a molecular weight of 440.02 g/mol. Its IUPAC name is 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium).

Molecular Properties

Compound Name1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)
PubChem CID160800513
Molecular FormulaC10H20Cl4O6P2+2
Molecular Weight440.02 g/mol
Exact Mass437.95
IUPAC Name1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)
SMILESClCCC(CCCl)=C(CCCl)CCCl.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C10H16Cl4.2HO3P/c11-5-1-9(2-6-12)10(3-7-13)4-8-14;2*1-4(2)3/h1-8H2;2*(H-,1,2,3)/p+2
InChIKeyGNZTUXIPOVUGKO-UHFFFAOYSA-P
XLogP4.06
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.02
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)?
The IUPAC name of 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium) (CID 160800513) is 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium).
What is the SMILES notation for 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)?
The canonical SMILES for 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium) is ClCCC(CCCl)=C(CCCl)CCCl.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)?
The InChIKey is GNZTUXIPOVUGKO-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H16Cl4.2HO3P/c11-5-1-9(2-6-12)10(3-7-13)4-8-14;2*1-4(2)3/h1-8H2;2*(H-,1,2,3)/p+2.
What are the key properties of 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)?
1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium) has a molecular weight of 440.02 g/mol, XLogP of 4.06, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium) is sourced from PubChem (CID 160800513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).