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

C11H21Cl3O3 — CID 90015060

IUPAC1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
SMILESCOC(CCl)COC(CCl)COC(C)CCCl
InChIInChI=1S/C11H21Cl3O3/c1-9(3-4-12)16-8-11(6-14)17-7-10(5-13)15-2/h9-11H,3-8H2,1-2H3
InChIKeyORNAJJRXINUGBS-UHFFFAOYSA-N
MW307.65 g/mol
LogP2.90
Rot. Bonds11

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

1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane (PubChem CID 90015060) has the molecular formula C11H21Cl3O3 and a molecular weight of 307.65 g/mol. Its IUPAC name is 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane.

Molecular Properties

Compound Name1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
PubChem CID90015060
Molecular FormulaC11H21Cl3O3
Molecular Weight307.65 g/mol
Exact Mass306.06
IUPAC Name1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
SMILESCOC(CCl)COC(CCl)COC(C)CCCl
InChIInChI=1S/C11H21Cl3O3/c1-9(3-4-12)16-8-11(6-14)17-7-10(5-13)15-2/h9-11H,3-8H2,1-2H3
InChIKeyORNAJJRXINUGBS-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
The IUPAC name of 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane (CID 90015060) is 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane.
What is the SMILES notation for 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
The canonical SMILES for 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane is COC(CCl)COC(CCl)COC(C)CCCl.
What is the InChIKey of 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
The InChIKey is ORNAJJRXINUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl3O3/c1-9(3-4-12)16-8-11(6-14)17-7-10(5-13)15-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane has a molecular weight of 307.65 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane is sourced from PubChem (CID 90015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).