3-isopropoxy-2,2-dimethyl-cyclobutanone

Name: 3-isopropoxy-2,2-dimethyl-cyclobutanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₆O₂ — CID 66367847

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethyl-3-propan-2-yloxycyclobutan-1-one

SMILESCC(C)OC1CC(=O)C1(C)C

InChIInChI=1S/C9H16O2/c1-6(2)11-8-5-7(10)9(8,3)4/h6,8H,5H2,1-4H3

InChIKeyWINWDRSVZGUFHT-UHFFFAOYSA-N

MW156.22 g/mol

LogP1.78

Rot. Bonds2

About 3-isopropoxy-2,2-dimethyl-cyclobutanone

3-isopropoxy-2,2-dimethyl-cyclobutanone (PubChem CID 66367847) has the molecular formula C₉H₁₆O₂ and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-propan-2-yloxycyclobutan-1-one.

Molecular Properties

Compound Name	3-isopropoxy-2,2-dimethyl-cyclobutanone
PubChem CID	66367847
Molecular Formula	C₉H₁₆O₂
Molecular Weight	156.22 g/mol
Exact Mass	156.12
IUPAC Name	2,2-dimethyl-3-propan-2-yloxycyclobutan-1-one
SMILES	CC(C)OC1CC(=O)C1(C)C
InChI	InChI=1S/C9H16O2/c1-6(2)11-8-5-7(10)9(8,3)4/h6,8H,5H2,1-4H3
InChIKey	WINWDRSVZGUFHT-UHFFFAOYSA-N
XLogP	1.78
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	156.22
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-isopropoxy-2,2-dimethyl-cyclobutanone?

The IUPAC name of 3-isopropoxy-2,2-dimethyl-cyclobutanone (CID 66367847) is 2,2-dimethyl-3-propan-2-yloxycyclobutan-1-one.

What is the SMILES notation for 3-isopropoxy-2,2-dimethyl-cyclobutanone?

The canonical SMILES for 3-isopropoxy-2,2-dimethyl-cyclobutanone is CC(C)OC1CC(=O)C1(C)C.

What is the InChIKey of 3-isopropoxy-2,2-dimethyl-cyclobutanone?

The InChIKey is WINWDRSVZGUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)11-8-5-7(10)9(8,3)4/h6,8H,5H2,1-4H3.

What are the key properties of 3-isopropoxy-2,2-dimethyl-cyclobutanone?

3-isopropoxy-2,2-dimethyl-cyclobutanone has a molecular weight of 156.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-isopropoxy-2,2-dimethyl-cyclobutanone is sourced from PubChem (CID 66367847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 66367847 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.