3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane

C14H30O2 — CID 86278356

IUPAC3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane
SMILESCC(C)CCOC(CC(C)C)OCC(C)C
InChIInChI=1S/C14H30O2/c1-11(2)7-8-15-14(9-12(3)4)16-10-13(5)6/h11-14H,7-10H2,1-6H3
InChIKeyHSBMJOHFCSICMS-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.09
Rot. Bonds9

About 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane

3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane (PubChem CID 86278356) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane
PubChem CID86278356
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane
SMILESCC(C)CCOC(CC(C)C)OCC(C)C
InChIInChI=1S/C14H30O2/c1-11(2)7-8-15-14(9-12(3)4)16-10-13(5)6/h11-14H,7-10H2,1-6H3
InChIKeyHSBMJOHFCSICMS-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane?
The IUPAC name of 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane (CID 86278356) is 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane.
What is the SMILES notation for 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane?
The canonical SMILES for 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane is CC(C)CCOC(CC(C)C)OCC(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane?
The InChIKey is HSBMJOHFCSICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-11(2)7-8-15-14(9-12(3)4)16-10-13(5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane?
3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane has a molecular weight of 230.39 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane is sourced from PubChem (CID 86278356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).