1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane

C12H22Cl4O — CID 71421457

IUPAC1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane
SMILESCC(CCl)CC(Cl)COCC(Cl)CC(C)CCl
InChIInChI=1S/C12H22Cl4O/c1-9(5-13)3-11(15)7-17-8-12(16)4-10(2)6-14/h9-12H,3-8H2,1-2H3
InChIKeyJVQQEWDINIQPQR-UHFFFAOYSA-N
MW324.12 g/mol
LogP4.75
Rot. Bonds10

About 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane

1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane (PubChem CID 71421457) has the molecular formula C12H22Cl4O and a molecular weight of 324.12 g/mol. Its IUPAC name is 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane.

Molecular Properties

Compound Name1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane
PubChem CID71421457
Molecular FormulaC12H22Cl4O
Molecular Weight324.12 g/mol
Exact Mass322.04
IUPAC Name1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane
SMILESCC(CCl)CC(Cl)COCC(Cl)CC(C)CCl
InChIInChI=1S/C12H22Cl4O/c1-9(5-13)3-11(15)7-17-8-12(16)4-10(2)6-14/h9-12H,3-8H2,1-2H3
InChIKeyJVQQEWDINIQPQR-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
CID 95858502
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
CID 57314653
1-chloro-2,5,6-trimethyloctane
CID 135229642
ethyl 3-chloro-4-(2-chloro-4-ethoxy-4-oxobutoxy)butanoate
CID 131842821
1-chloro-2-methyl-3-(2-methylsulfanylethoxy)propane
CID 127003755
1-(2,3-dichloropropoxy)hexane
CID 14269129
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
1,2-dichloropropane;titanium
CID 88762967
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
(2R)-1-bromo-3-chloro-2-methylpropane
CID 642183
chloro 4-chloro-3-methylbutanoate
CID 87670115

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane?
The IUPAC name of 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane (CID 71421457) is 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane.
What is the SMILES notation for 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane?
The canonical SMILES for 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane is CC(CCl)CC(Cl)COCC(Cl)CC(C)CCl.
What is the InChIKey of 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane?
The InChIKey is JVQQEWDINIQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl4O/c1-9(5-13)3-11(15)7-17-8-12(16)4-10(2)6-14/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane?
1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane has a molecular weight of 324.12 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane is sourced from PubChem (CID 71421457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).