1-methoxy-2-methylbutane

C6H14O — CID 522007

IUPAC1-methoxy-2-methylbutane
SMILESCCC(C)COC
InChIInChI=1S/C6H14O/c1-4-6(2)5-7-3/h6H,4-5H2,1-3H3
InChIKeyXGLHRCWEOMNVKS-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.68
Rot. Bonds3

About 1-methoxy-2-methylbutane

1-methoxy-2-methylbutane (PubChem CID 522007) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 1-methoxy-2-methylbutane.

Molecular Properties

Compound Name1-methoxy-2-methylbutane
PubChem CID522007
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name1-methoxy-2-methylbutane
SMILESCCC(C)COC
InChIInChI=1S/C6H14O/c1-4-6(2)5-7-3/h6H,4-5H2,1-3H3
InChIKeyXGLHRCWEOMNVKS-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diisopentyl ether
CID 10989
Ether, isobutyl methyl
CID 12250
3-Methyltetrahydrofuran
CID 98230
1-Ethoxy-2-methylpropane
CID 69386
1-Ethoxy-3-methylbutane
CID 120303
Butane, 1-methoxy-3-methyl-
CID 136445
(Methoxymethyl)cyclopropane
CID 547064
Oxetane, 3-(1-methylethyl)-
CID 543882
Butane, 2-methoxy-3-methyl-
CID 547676
Bis(2-methylbutyl) ether
CID 4584641
1-Butoxy-3-methylbutane
CID 545578
1-Ethoxy-2-methylbutane
CID 14693963

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbutane?
The IUPAC name of 1-methoxy-2-methylbutane (CID 522007) is 1-methoxy-2-methylbutane.
What is the SMILES notation for 1-methoxy-2-methylbutane?
The canonical SMILES for 1-methoxy-2-methylbutane is CCC(C)COC.
What is the InChIKey of 1-methoxy-2-methylbutane?
The InChIKey is XGLHRCWEOMNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-4-6(2)5-7-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2-methylbutane?
1-methoxy-2-methylbutane has a molecular weight of 102.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbutane is sourced from PubChem (CID 522007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).