3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one

C11H22O3 — CID 123396731

IUPAC3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
SMILESCOC(C)(C)CCOC(C)(C)C(C)=O
InChIInChI=1S/C11H22O3/c1-9(12)11(4,5)14-8-7-10(2,3)13-6/h7-8H2,1-6H3
InChIKeyPVMREPZZBLOJCL-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.19
Rot. Bonds6

About 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one

3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one (PubChem CID 123396731) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
PubChem CID123396731
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
SMILESCOC(C)(C)CCOC(C)(C)C(C)=O
InChIInChI=1S/C11H22O3/c1-9(12)11(4,5)14-8-7-10(2,3)13-6/h7-8H2,1-6H3
InChIKeyPVMREPZZBLOJCL-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylbutoxy)propan-2-one
CID 43798539
3-Ethoxy-3-methyl-2-butanone
CID 37509
3,3-Dimethyl-1-(2-methylpropoxy)butan-2-one
CID 43798763
1-Fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
CID 167364811
2-(3-Methoxy-3-methylbutoxy)ethanal
CID 44602915
2-Pentanone, 1,3-dimethoxy-3-methyl-
CID 560094
3-Ethoxy-3-methylpentan-2-one
CID 12280335
1-[(2-Methylpropan-2-yl)oxy]pentan-2-one
CID 12696216
2-Ethoxy-2-methylpentan-3-one
CID 12696410
3-Methyl-3-propan-2-yloxybutan-2-one
CID 12696412
3-Methyl-1-propan-2-yloxybutan-2-one
CID 12696423
2-Methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one
CID 12696426

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one (CID 123396731) is 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one is COC(C)(C)CCOC(C)(C)C(C)=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one?
The InChIKey is PVMREPZZBLOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(12)11(4,5)14-8-7-10(2,3)13-6/h7-8H2,1-6H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one?
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one has a molecular weight of 202.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one is sourced from PubChem (CID 123396731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).