1-butoxy-3-methoxy-3-methylbutane

C10H22O2 — CID 56617861

IUPAC1-butoxy-3-methoxy-3-methylbutane
SMILESCCCCOCCC(C)(C)OC
InChIInChI=1S/C10H22O2/c1-5-6-8-12-9-7-10(2,3)11-4/h5-9H2,1-4H3
InChIKeyDQFRVMOWTVEBMP-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds7

About 1-butoxy-3-methoxy-3-methylbutane

1-butoxy-3-methoxy-3-methylbutane (PubChem CID 56617861) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-butoxy-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-butoxy-3-methoxy-3-methylbutane
PubChem CID56617861
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-butoxy-3-methoxy-3-methylbutane
SMILESCCCCOCCC(C)(C)OC
InChIInChI=1S/C10H22O2/c1-5-6-8-12-9-7-10(2,3)11-4/h5-9H2,1-4H3
InChIKeyDQFRVMOWTVEBMP-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
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

Butane, 1-(2-(2-(1,1-dimethylethoxy)ethoxy)ethoxy)-
CID 104323
Butane, 1-[2-(1,1-dimethylethoxy)ethoxy]-
CID 109580
1-Tert-butoxybutane
CID 136788
4-(Tert-butoxy)-2-methylbutan-2-ol
CID 15105946
1-Ethoxy-2,2-bis(ethoxymethyl)butane
CID 20670498
Butyl 1,1-dimethylpropyl ether
CID 520577
1,1-Dimethylethyl 3-methylbutyl ether
CID 21894291
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
1,3-Dimethoxy-3-methylbutane
CID 552136
2-Ethoxy-2-methylpentane
CID 22000984
4-Butoxy-2-methyl-2-butanol
CID 12422922
1,1-Dimethylpropyl 3-methylbutyl ether
CID 12460096

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-methoxy-3-methylbutane?
The IUPAC name of 1-butoxy-3-methoxy-3-methylbutane (CID 56617861) is 1-butoxy-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-butoxy-3-methoxy-3-methylbutane?
The canonical SMILES for 1-butoxy-3-methoxy-3-methylbutane is CCCCOCCC(C)(C)OC.
What is the InChIKey of 1-butoxy-3-methoxy-3-methylbutane?
The InChIKey is DQFRVMOWTVEBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-6-8-12-9-7-10(2,3)11-4/h5-9H2,1-4H3.
What are the key properties of 1-butoxy-3-methoxy-3-methylbutane?
1-butoxy-3-methoxy-3-methylbutane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-methoxy-3-methylbutane is sourced from PubChem (CID 56617861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).