1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane

C10H20Cl4P2 — CID 141027644

IUPAC1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane
SMILESCC(P(CCCl)CCCl)P(CCCl)CCCl
InChIInChI=1S/C10H20Cl4P2/c1-10(15(6-2-11)7-3-12)16(8-4-13)9-5-14/h10H,2-9H2,1H3
InChIKeyMBVLSUXQNGVMLM-UHFFFAOYSA-N
MW344.03 g/mol
LogP5.25
Rot. Bonds10

About 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane

1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane (PubChem CID 141027644) has the molecular formula C10H20Cl4P2 and a molecular weight of 344.03 g/mol. Its IUPAC name is 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane.

Molecular Properties

Compound Name1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane
PubChem CID141027644
Molecular FormulaC10H20Cl4P2
Molecular Weight344.03 g/mol
Exact Mass341.98
IUPAC Name1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane
SMILESCC(P(CCCl)CCCl)P(CCCl)CCCl
InChIInChI=1S/C10H20Cl4P2/c1-10(15(6-2-11)7-3-12)16(8-4-13)9-5-14/h10H,2-9H2,1H3
InChIKeyMBVLSUXQNGVMLM-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.03
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane?
The IUPAC name of 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane (CID 141027644) is 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane.
What is the SMILES notation for 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane?
The canonical SMILES for 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane is CC(P(CCCl)CCCl)P(CCCl)CCCl.
What is the InChIKey of 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane?
The InChIKey is MBVLSUXQNGVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl4P2/c1-10(15(6-2-11)7-3-12)16(8-4-13)9-5-14/h10H,2-9H2,1H3.
What are the key properties of 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane?
1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane has a molecular weight of 344.03 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-chloroethyl)phosphanyl]ethyl-bis(2-chloroethyl)phosphane is sourced from PubChem (CID 141027644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).