1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane

C11H23ClO — CID 89382898

IUPAC1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(C)CC(CCl)OC(C)(C)C
InChIInChI=1S/C11H23ClO/c1-6-9(2)7-10(8-12)13-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyZEHISONRWKPIAG-UHFFFAOYSA-N
MW206.76 g/mol
LogP3.85
Rot. Bonds5

About 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane

1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 89382898) has the molecular formula C11H23ClO and a molecular weight of 206.76 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID89382898
Molecular FormulaC11H23ClO
Molecular Weight206.76 g/mol
Exact Mass206.14
IUPAC Name1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(C)CC(CCl)OC(C)(C)C
InChIInChI=1S/C11H23ClO/c1-6-9(2)7-10(8-12)13-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyZEHISONRWKPIAG-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 53.85
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

2-(Chloromethyl)-3-propan-2-yloxolane
CID 134934524
5-(Chloromethyl)-2,2,3,3-tetramethyloxolane
CID 162413818
(2R,3S,4R)-4-chloro-3-ethyl-2-methyltetrahydro-2H-pyran
CID 643023
(2R,3R,4R)-4-chloro-3-ethyl-2-methyltetrahydro-2H-pyran
CID 643024
(2R,5S)-2-(chloromethyl)-2,5-dimethyloxolane
CID 101684317
(2R,5R)-2-(chloromethyl)-2,5-dimethyloxolane
CID 101684318
4-(5-Chloropentoxymethyl)-2-methylhexane
CID 13748137
1,6-Dichloro-3,4-bis(2-chloroethyl)-3-ethoxyhexane
CID 19750946
2-Chloro-3,4,5,6-tetramethyloxane
CID 20707641
4-Chloro-2-(2-methylpropoxy)hexane
CID 21032971
1-Chloro-5-methoxy-2,6-dimethylheptane
CID 21399083
1-Chloro-3-methyl-5-propan-2-yloxypentane
CID 21515989

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane (CID 89382898) is 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane is CCC(C)CC(CCl)OC(C)(C)C.
What is the InChIKey of 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is ZEHISONRWKPIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO/c1-6-9(2)7-10(8-12)13-11(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane?
1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 206.76 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 89382898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).