3-methoxy-3-methyl-1-(3-methylbutoxy)butane

C11H24O2 — CID 44602850

IUPAC3-methoxy-3-methyl-1-(3-methylbutoxy)butane
SMILESCOC(C)(C)CCOCCC(C)C
InChIInChI=1S/C11H24O2/c1-10(2)6-8-13-9-7-11(3,4)12-5/h10H,6-9H2,1-5H3
InChIKeyFNLQQOMAAIQUNE-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.86
Rot. Bonds7

About 3-methoxy-3-methyl-1-(3-methylbutoxy)butane

3-methoxy-3-methyl-1-(3-methylbutoxy)butane (PubChem CID 44602850) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(3-methylbutoxy)butane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(3-methylbutoxy)butane
PubChem CID44602850
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methoxy-3-methyl-1-(3-methylbutoxy)butane
SMILESCOC(C)(C)CCOCCC(C)C
InChIInChI=1S/C11H24O2/c1-10(2)6-8-13-9-7-11(3,4)12-5/h10H,6-9H2,1-5H3
InChIKeyFNLQQOMAAIQUNE-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Tert-butoxy)-2-methylbutan-2-ol
CID 15105946
Butyl 1,1-dimethylpropyl ether
CID 520577
3-Methylbutyl 1-methylethyl ether
CID 21894216
1,1-Dimethylethyl 3-methylbutyl ether
CID 21894291
1,3-Dimethoxy-3-methylbutane
CID 552136
4-Butoxy-2-methyl-2-butanol
CID 12422922
1,1-Dimethylpropyl 3-methylbutyl ether
CID 12460096
Tetramethylather
CID 13316173
1,3-Di-t-butoxy propan
CID 18988401
Methyl-isobutyl-ather
CID 19768872
3-Methylbutyl 1-methylpropyl ether
CID 53970760
4-(3-Hydroxy-3-methylbutoxy)-2-methylbutan-2-ol
CID 57198401

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(3-methylbutoxy)butane?
The IUPAC name of 3-methoxy-3-methyl-1-(3-methylbutoxy)butane (CID 44602850) is 3-methoxy-3-methyl-1-(3-methylbutoxy)butane.
What is the SMILES notation for 3-methoxy-3-methyl-1-(3-methylbutoxy)butane?
The canonical SMILES for 3-methoxy-3-methyl-1-(3-methylbutoxy)butane is COC(C)(C)CCOCCC(C)C.
What is the InChIKey of 3-methoxy-3-methyl-1-(3-methylbutoxy)butane?
The InChIKey is FNLQQOMAAIQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(2)6-8-13-9-7-11(3,4)12-5/h10H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(3-methylbutoxy)butane?
3-methoxy-3-methyl-1-(3-methylbutoxy)butane has a molecular weight of 188.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(3-methylbutoxy)butane is sourced from PubChem (CID 44602850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).