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

C10H20O3 — CID 58421308

IUPAC3-(3-methoxy-3-methylbutoxy)butan-2-one
SMILESCOC(C)(C)CCOC(C)C(C)=O
InChIInChI=1S/C10H20O3/c1-8(11)9(2)13-7-6-10(3,4)12-5/h9H,6-7H2,1-5H3
InChIKeyFSRXYSWJFIMPTH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.80
Rot. Bonds6

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

3-(3-methoxy-3-methylbutoxy)butan-2-one (PubChem CID 58421308) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)butan-2-one.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)butan-2-one
PubChem CID58421308
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(3-methoxy-3-methylbutoxy)butan-2-one
SMILESCOC(C)(C)CCOC(C)C(C)=O
InChIInChI=1S/C10H20O3/c1-8(11)9(2)13-7-6-10(3,4)12-5/h9H,6-7H2,1-5H3
InChIKeyFSRXYSWJFIMPTH-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)butan-2-one?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)butan-2-one (CID 58421308) is 3-(3-methoxy-3-methylbutoxy)butan-2-one.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)butan-2-one?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)butan-2-one is COC(C)(C)CCOC(C)C(C)=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)butan-2-one?
The InChIKey is FSRXYSWJFIMPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(11)9(2)13-7-6-10(3,4)12-5/h9H,6-7H2,1-5H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)butan-2-one?
3-(3-methoxy-3-methylbutoxy)butan-2-one has a molecular weight of 188.27 g/mol, XLogP of 1.80, 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)butan-2-one is sourced from PubChem (CID 58421308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).