3-methyl-2-(3-methylhexan-2-yloxy)hexane

C14H30O — CID 22151634

IUPAC3-methyl-2-(3-methylhexan-2-yloxy)hexane
SMILESCCCC(C)C(C)OC(C)C(C)CCC
InChIInChI=1S/C14H30O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h11-14H,7-10H2,1-6H3
InChIKeyVKDSUTSHQJTMLS-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds8

About 3-methyl-2-(3-methylhexan-2-yloxy)hexane

3-methyl-2-(3-methylhexan-2-yloxy)hexane (PubChem CID 22151634) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-methyl-2-(3-methylhexan-2-yloxy)hexane.

Molecular Properties

Compound Name3-methyl-2-(3-methylhexan-2-yloxy)hexane
PubChem CID22151634
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-methyl-2-(3-methylhexan-2-yloxy)hexane
SMILESCCCC(C)C(C)OC(C)C(C)CCC
InChIInChI=1S/C14H30O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h11-14H,7-10H2,1-6H3
InChIKeyVKDSUTSHQJTMLS-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylhexan-2-yloxy)hexane?
The IUPAC name of 3-methyl-2-(3-methylhexan-2-yloxy)hexane (CID 22151634) is 3-methyl-2-(3-methylhexan-2-yloxy)hexane.
What is the SMILES notation for 3-methyl-2-(3-methylhexan-2-yloxy)hexane?
The canonical SMILES for 3-methyl-2-(3-methylhexan-2-yloxy)hexane is CCCC(C)C(C)OC(C)C(C)CCC.
What is the InChIKey of 3-methyl-2-(3-methylhexan-2-yloxy)hexane?
The InChIKey is VKDSUTSHQJTMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-methyl-2-(3-methylhexan-2-yloxy)hexane?
3-methyl-2-(3-methylhexan-2-yloxy)hexane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylhexan-2-yloxy)hexane is sourced from PubChem (CID 22151634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).