3-methyl-3-(2-methylpropoxy)-1-propoxybutane

C12H26O2 — CID 87248462

IUPAC3-methyl-3-(2-methylpropoxy)-1-propoxybutane
SMILESCCCOCCC(C)(C)OCC(C)C
InChIInChI=1S/C12H26O2/c1-6-8-13-9-7-12(4,5)14-10-11(2)3/h11H,6-10H2,1-5H3
InChIKeyUTUFLGBTRDTCDH-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.25
Rot. Bonds8

About 3-methyl-3-(2-methylpropoxy)-1-propoxybutane

3-methyl-3-(2-methylpropoxy)-1-propoxybutane (PubChem CID 87248462) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropoxy)-1-propoxybutane.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropoxy)-1-propoxybutane
PubChem CID87248462
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-methyl-3-(2-methylpropoxy)-1-propoxybutane
SMILESCCCOCCC(C)(C)OCC(C)C
InChIInChI=1S/C12H26O2/c1-6-8-13-9-7-12(4,5)14-10-11(2)3/h11H,6-10H2,1-5H3
InChIKeyUTUFLGBTRDTCDH-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.25
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

3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
CID 87248461
2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane
CID 155206802
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
3,3-difluoro-1-propoxybutane
CID 118261285
4,4-bis(2-methylpropoxy)heptane
CID 89439666
2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
2-methyl-2-(2-methylbutoxy)pentane
CID 143988658
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropoxy)-1-propoxybutane?
The IUPAC name of 3-methyl-3-(2-methylpropoxy)-1-propoxybutane (CID 87248462) is 3-methyl-3-(2-methylpropoxy)-1-propoxybutane.
What is the SMILES notation for 3-methyl-3-(2-methylpropoxy)-1-propoxybutane?
The canonical SMILES for 3-methyl-3-(2-methylpropoxy)-1-propoxybutane is CCCOCCC(C)(C)OCC(C)C.
What is the InChIKey of 3-methyl-3-(2-methylpropoxy)-1-propoxybutane?
The InChIKey is UTUFLGBTRDTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-8-13-9-7-12(4,5)14-10-11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of 3-methyl-3-(2-methylpropoxy)-1-propoxybutane?
3-methyl-3-(2-methylpropoxy)-1-propoxybutane has a molecular weight of 202.34 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropoxy)-1-propoxybutane is sourced from PubChem (CID 87248462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).