1-(2,4-dimethylhexoxy)-2,4-dimethylhexane

C16H34O — CID 57094156

IUPAC1-(2,4-dimethylhexoxy)-2,4-dimethylhexane
SMILESCCC(C)CC(C)COCC(C)CC(C)CC
InChIInChI=1S/C16H34O/c1-7-13(3)9-15(5)11-17-12-16(6)10-14(4)8-2/h13-16H,7-12H2,1-6H3
InChIKeyVBRVGDLBMDBZIA-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.15
Rot. Bonds10

About 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane

1-(2,4-dimethylhexoxy)-2,4-dimethylhexane (PubChem CID 57094156) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane.

Molecular Properties

Compound Name1-(2,4-dimethylhexoxy)-2,4-dimethylhexane
PubChem CID57094156
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name1-(2,4-dimethylhexoxy)-2,4-dimethylhexane
SMILESCCC(C)CC(C)COCC(C)CC(C)CC
InChIInChI=1S/C16H34O/c1-7-13(3)9-15(5)11-17-12-16(6)10-14(4)8-2/h13-16H,7-12H2,1-6H3
InChIKeyVBRVGDLBMDBZIA-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-ethylhexyl) ether
CID 25010
Diisononyl Ether
CID 13603457
Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
3-(Butoxymethyl)heptane
CID 522064
2-Ethyl-1-hexanol, methyl ether
CID 14795002
11-(Butoxymethyl)tricosane
CID 87842016
Isooctane, oxybis-
CID 183986
Isotridecyl ether
CID 13603459
2-Hexyldecyl octylether
CID 15032029
1-Isobutoxy-2-ethylhexane
CID 545495
Bis(3,5,5-trimethyl-1-hexyl) ether
CID 57048725

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane?
The IUPAC name of 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane (CID 57094156) is 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane.
What is the SMILES notation for 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane?
The canonical SMILES for 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane is CCC(C)CC(C)COCC(C)CC(C)CC.
What is the InChIKey of 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane?
The InChIKey is VBRVGDLBMDBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-7-13(3)9-15(5)11-17-12-16(6)10-14(4)8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane?
1-(2,4-dimethylhexoxy)-2,4-dimethylhexane has a molecular weight of 242.45 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylhexoxy)-2,4-dimethylhexane is sourced from PubChem (CID 57094156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).