1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane

C13H28O3 — CID 123855545

IUPAC1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane
SMILESCCCOC(C)(C)CCOC(C)(C)COC
InChIInChI=1S/C13H28O3/c1-7-9-15-12(2,3)8-10-16-13(4,5)11-14-6/h7-11H2,1-6H3
InChIKeyYZRVRSJJWYPARD-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds9

About 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane

1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane (PubChem CID 123855545) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane.

Molecular Properties

Compound Name1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane
PubChem CID123855545
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane
SMILESCCCOC(C)(C)CCOC(C)(C)COC
InChIInChI=1S/C13H28O3/c1-7-9-15-12(2,3)8-10-16-13(4,5)11-14-6/h7-11H2,1-6H3
InChIKeyYZRVRSJJWYPARD-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate
CID 90975054
2-methyl-2-propoxyhexane
CID 91043348
N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine
CID 139455024
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
CID 88578913
2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol
CID 90360547
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
CID 166753432
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252
2-(2-methyl-2-propoxypropoxy)acetic acid
CID 57089609
2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
CID 90873357
1-(1,1-dipropoxyethoxy)propane
CID 21433420

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane?
The IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane (CID 123855545) is 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane.
What is the SMILES notation for 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane?
The canonical SMILES for 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane is CCCOC(C)(C)CCOC(C)(C)COC.
What is the InChIKey of 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane?
The InChIKey is YZRVRSJJWYPARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-7-9-15-12(2,3)8-10-16-13(4,5)11-14-6/h7-11H2,1-6H3.
What are the key properties of 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane?
1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane is sourced from PubChem (CID 123855545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).