1-chloro-2-(1-chlorohexan-2-yloxy)hexane

C12H24Cl2O — CID 22186469

IUPAC1-chloro-2-(1-chlorohexan-2-yloxy)hexane
SMILESCCCCC(CCl)OC(CCl)CCCC
InChIInChI=1S/C12H24Cl2O/c1-3-5-7-11(9-13)15-12(10-14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyDIOUQBMZHHTUDO-UHFFFAOYSA-N
MW255.23 g/mol
LogP4.60
Rot. Bonds10

About 1-chloro-2-(1-chlorohexan-2-yloxy)hexane

1-chloro-2-(1-chlorohexan-2-yloxy)hexane (PubChem CID 22186469) has the molecular formula C12H24Cl2O and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-chloro-2-(1-chlorohexan-2-yloxy)hexane.

Molecular Properties

Compound Name1-chloro-2-(1-chlorohexan-2-yloxy)hexane
PubChem CID22186469
Molecular FormulaC12H24Cl2O
Molecular Weight255.23 g/mol
Exact Mass254.12
IUPAC Name1-chloro-2-(1-chlorohexan-2-yloxy)hexane
SMILESCCCCC(CCl)OC(CCl)CCCC
InChIInChI=1S/C12H24Cl2O/c1-3-5-7-11(9-13)15-12(10-14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyDIOUQBMZHHTUDO-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 54.60
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

1-iodo-2-(1-iodohexan-2-yloxy)hexane
CID 89313125
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
4-hexadecan-5-yloxyhexadecane
CID 57069400
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
1-chlorohexan-2-yl N,N-diethylsulfamate
CID 13498464
(2S)-1-chloro-2-(2-chloroethoxy)decane
CID 98152177
5-ethyl-7-(7-ethylundecan-5-yloxy)undecane
CID 57166671
4-icosan-4-yloxyicosane
CID 87313284
1-chloroheptan-2-yl methanesulfonate
CID 13226613
(2S)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535155

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chlorohexan-2-yloxy)hexane?
The IUPAC name of 1-chloro-2-(1-chlorohexan-2-yloxy)hexane (CID 22186469) is 1-chloro-2-(1-chlorohexan-2-yloxy)hexane.
What is the SMILES notation for 1-chloro-2-(1-chlorohexan-2-yloxy)hexane?
The canonical SMILES for 1-chloro-2-(1-chlorohexan-2-yloxy)hexane is CCCCC(CCl)OC(CCl)CCCC.
What is the InChIKey of 1-chloro-2-(1-chlorohexan-2-yloxy)hexane?
The InChIKey is DIOUQBMZHHTUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2O/c1-3-5-7-11(9-13)15-12(10-14)8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-chloro-2-(1-chlorohexan-2-yloxy)hexane?
1-chloro-2-(1-chlorohexan-2-yloxy)hexane has a molecular weight of 255.23 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chlorohexan-2-yloxy)hexane is sourced from PubChem (CID 22186469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).