1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane

C14H26Cl4O4 — CID 90015516

IUPAC1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane
SMILESCCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OC
InChIInChI=1S/C14H26Cl4O4/c1-3-11(4-15)20-9-13(6-17)22-10-14(7-18)21-8-12(5-16)19-2/h11-14H,3-10H2,1-2H3
InChIKeyPLOUCKNVVYAPFI-UHFFFAOYSA-N
MW400.17 g/mol
LogP3.52
Rot. Bonds15

About 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane

1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane (PubChem CID 90015516) has the molecular formula C14H26Cl4O4 and a molecular weight of 400.17 g/mol. Its IUPAC name is 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane.

Molecular Properties

Compound Name1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane
PubChem CID90015516
Molecular FormulaC14H26Cl4O4
Molecular Weight400.17 g/mol
Exact Mass398.06
IUPAC Name1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane
SMILESCCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OC
InChIInChI=1S/C14H26Cl4O4/c1-3-11(4-15)20-9-13(6-17)22-10-14(7-18)21-8-12(5-16)19-2/h11-14H,3-10H2,1-2H3
InChIKeyPLOUCKNVVYAPFI-UHFFFAOYSA-N
XLogP3.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.17
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane?
The IUPAC name of 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane (CID 90015516) is 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane.
What is the SMILES notation for 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane?
The canonical SMILES for 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane is CCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OC.
What is the InChIKey of 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane?
The InChIKey is PLOUCKNVVYAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl4O4/c1-3-11(4-15)20-9-13(6-17)22-10-14(7-18)21-8-12(5-16)19-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane?
1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane has a molecular weight of 400.17 g/mol, XLogP of 3.52, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]butane is sourced from PubChem (CID 90015516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).