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

C11H21Cl3O3 — CID 90015058

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

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

1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane (PubChem CID 90015058) has the molecular formula C11H21Cl3O3 and a molecular weight of 307.65 g/mol. Its IUPAC name is 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane.

Molecular Properties

Compound Name1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
PubChem CID90015058
Molecular FormulaC11H21Cl3O3
Molecular Weight307.65 g/mol
Exact Mass306.06
IUPAC Name1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
SMILESCCC(CCl)OCC(CCl)OCC(CCl)OC
InChIInChI=1S/C11H21Cl3O3/c1-3-9(4-12)16-8-11(6-14)17-7-10(5-13)15-2/h9-11H,3-8H2,1-2H3
InChIKeyWRMLSGNSQCSMND-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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Related Compounds

Bis(2-chloro-1-ethylethyl) ether
CID 21838905
2-[3-Chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
CID 59170484
2-(1,2-Dichloro-2-propan-2-yloxyethoxy)propane
CID 12388019
1,4-Dichloro-2,3-dimethoxybutane
CID 12602936
1,14-Dichloro-7-((propyloxy)methyl)-3,6,9,12-tetraoxatetradecane
CID 175666458
1,2-Dichloro-3,4-dimethoxybutane
CID 12602945
2-(4-Chlorobutoxy)-1-(2-methylpropoxy)butane
CID 14551756
1,14-Dichloro-7,8-dimethyl-3,6,9,12-tetraoxatetradecane
CID 15090710
1-Chloro-2-(1-chloropentan-2-yloxy)pentane
CID 20158624
1,2-Bis(2-chloropropoxy)propane
CID 20394025
1-Chloro-2,3-diethoxypropane
CID 20497055
1-Chloro-2,3-dipropoxypropane
CID 21014976

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
The IUPAC name of 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane (CID 90015058) is 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane.
What is the SMILES notation for 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
The canonical SMILES for 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane is CCC(CCl)OCC(CCl)OCC(CCl)OC.
What is the InChIKey of 1-chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
The InChIKey is WRMLSGNSQCSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl3O3/c1-3-9(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-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane?
1-chloro-2-[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-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane is sourced from PubChem (CID 90015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).