2-methyl-1-(2-methylhexoxy)hexane

C14H30O — CID 22151657

IUPAC2-methyl-1-(2-methylhexoxy)hexane
SMILESCCCCC(C)COCC(C)CCCC
InChIInChI=1S/C14H30O/c1-5-7-9-13(3)11-15-12-14(4)10-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyLJWGHPOQQVQWND-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds10

About 2-methyl-1-(2-methylhexoxy)hexane

2-methyl-1-(2-methylhexoxy)hexane (PubChem CID 22151657) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-methyl-1-(2-methylhexoxy)hexane.

Molecular Properties

Compound Name2-methyl-1-(2-methylhexoxy)hexane
PubChem CID22151657
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-methyl-1-(2-methylhexoxy)hexane
SMILESCCCCC(C)COCC(C)CCCC
InChIInChI=1S/C14H30O/c1-5-7-9-13(3)11-15-12-14(4)10-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyLJWGHPOQQVQWND-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylhexoxy)hexane?
The IUPAC name of 2-methyl-1-(2-methylhexoxy)hexane (CID 22151657) is 2-methyl-1-(2-methylhexoxy)hexane.
What is the SMILES notation for 2-methyl-1-(2-methylhexoxy)hexane?
The canonical SMILES for 2-methyl-1-(2-methylhexoxy)hexane is CCCCC(C)COCC(C)CCCC.
What is the InChIKey of 2-methyl-1-(2-methylhexoxy)hexane?
The InChIKey is LJWGHPOQQVQWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-7-9-13(3)11-15-12-14(4)10-8-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylhexoxy)hexane?
2-methyl-1-(2-methylhexoxy)hexane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylhexoxy)hexane is sourced from PubChem (CID 22151657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).