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

C17H31Cl5O5 — CID 90015053

IUPAC1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane
SMILESCCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OC
InChIInChI=1S/C17H31Cl5O5/c1-3-13(4-18)24-10-15(6-20)26-12-17(8-22)27-11-16(7-21)25-9-14(5-19)23-2/h13-17H,3-12H2,1-2H3
InChIKeyNBPGWRGUHBAHAE-UHFFFAOYSA-N
MW492.70 g/mol
LogP4.15
Rot. Bonds19

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

1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane (PubChem CID 90015053) has the molecular formula C17H31Cl5O5 and a molecular weight of 492.70 g/mol. Its IUPAC name is 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane.

Molecular Properties

Compound Name1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane
PubChem CID90015053
Molecular FormulaC17H31Cl5O5
Molecular Weight492.70 g/mol
Exact Mass490.06
IUPAC Name1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane
SMILESCCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OCC(CCl)OC
InChIInChI=1S/C17H31Cl5O5/c1-3-13(4-18)24-10-15(6-20)26-12-17(8-22)27-11-16(7-21)25-9-14(5-19)23-2/h13-17H,3-12H2,1-2H3
InChIKeyNBPGWRGUHBAHAE-UHFFFAOYSA-N
XLogP4.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.70
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane?
The IUPAC name of 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane (CID 90015053) is 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane.
What is the SMILES notation for 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane?
The canonical SMILES for 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane is CCC(CCl)OCC(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-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane?
The InChIKey is NBPGWRGUHBAHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31Cl5O5/c1-3-13(4-18)24-10-15(6-20)26-12-17(8-22)27-11-16(7-21)25-9-14(5-19)23-2/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane?
1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane has a molecular weight of 492.70 g/mol, XLogP of 4.15, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-chloro-2-[3-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]propoxy]propoxy]butane is sourced from PubChem (CID 90015053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).