1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane

C12H25ClO — CID 129235344

IUPAC1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(CCCl)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C12H25ClO/c1-10(7-8-13)9-12(5,6)14-11(2,3)4/h10H,7-9H2,1-6H3
InChIKeyGPAWZVBFIIYZSM-UHFFFAOYSA-N
MW220.78 g/mol
LogP4.24
Rot. Bonds5

About 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane

1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 129235344) has the molecular formula C12H25ClO and a molecular weight of 220.78 g/mol. Its IUPAC name is 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID129235344
Molecular FormulaC12H25ClO
Molecular Weight220.78 g/mol
Exact Mass220.16
IUPAC Name1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(CCCl)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C12H25ClO/c1-10(7-8-13)9-12(5,6)14-11(2,3)4/h10H,7-9H2,1-6H3
InChIKeyGPAWZVBFIIYZSM-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.78
LogP ≤ 54.24
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-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]heptane
CID 129235543
1,1-dichloro-3-methyl-3-[(2-methylpropan-2-yl)oxy]butane
CID 141078640
2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
CID 177210579
1-chloro-3,8,8-trimethylnonane
CID 170172988
2,2,4,8,10,10-hexamethylundecane
CID 54023173
4-chloro-2-methylbutan-1-amine
CID 18363058
(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235244
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
8-[5-hydroxy-7-methyl-7-[(2-methylpropan-2-yl)oxy]octoxy]-2-methyl-2-[(2-methylpropan-2-yl)oxy]octan-4-ol
CID 57265296
1,7-dichloro-3-methylheptane
CID 175072872
copper;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 90105621
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane (CID 129235344) is 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane is CC(CCCl)CC(C)(C)OC(C)(C)C.
What is the InChIKey of 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is GPAWZVBFIIYZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO/c1-10(7-8-13)9-12(5,6)14-11(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 220.78 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 129235344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).