3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one

C10H18O2 — CID 66368280

IUPAC3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one
SMILESCCC(C)OC1CC(=O)C1(C)C
InChIInChI=1S/C10H18O2/c1-5-7(2)12-9-6-8(11)10(9,3)4/h7,9H,5-6H2,1-4H3
InChIKeyTWIUNZLUPIWCBJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds3

About 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one

3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one (PubChem CID 66368280) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one
PubChem CID66368280
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one
SMILESCCC(C)OC1CC(=O)C1(C)C
InChIInChI=1S/C10H18O2/c1-5-7(2)12-9-6-8(11)10(9,3)4/h7,9H,5-6H2,1-4H3
InChIKeyTWIUNZLUPIWCBJ-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yloxyspiro[3.6]decan-3-one
CID 66368076
3-butan-2-yloxy-4,4-dimethylcyclohexan-1-one
CID 165491247
2-bromo-4-butan-2-yloxy-1,1-dimethylcyclobutane
CID 66343685
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one
CID 66366398
2,2-diethyl-3-pentan-2-yloxycyclobutan-1-one
CID 102988603
3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one
CID 66366208
3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
CID 66368834
3-(3,3-dimethylbutoxy)-2,2-dimethylcyclobutan-1-one
CID 66366862
3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one
CID 66366245
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
CID 65170456
2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one
CID 66368643

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one (CID 66368280) is 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one is CCC(C)OC1CC(=O)C1(C)C.
What is the InChIKey of 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one?
The InChIKey is TWIUNZLUPIWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7(2)12-9-6-8(11)10(9,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one?
3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 66368280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).