3-methyl-3-(2-methylpropyl)oxetan-2-one

C8H14O2 — CID 154718013

IUPAC3-methyl-3-(2-methylpropyl)oxetan-2-one
SMILESCC(C)CC1(C)COC1=O
InChIInChI=1S/C8H14O2/c1-6(2)4-8(3)5-10-7(8)9/h6H,4-5H2,1-3H3
InChIKeyQGRUAQVHBPQCJL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds2

About 3-methyl-3-(2-methylpropyl)oxetan-2-one

3-methyl-3-(2-methylpropyl)oxetan-2-one (PubChem CID 154718013) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropyl)oxetan-2-one.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropyl)oxetan-2-one
PubChem CID154718013
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methyl-3-(2-methylpropyl)oxetan-2-one
SMILESCC(C)CC1(C)COC1=O
InChIInChI=1S/C8H14O2/c1-6(2)4-8(3)5-10-7(8)9/h6H,4-5H2,1-3H3
InChIKeyQGRUAQVHBPQCJL-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

Pentanoic acid, 2,4,4-trimethyl-, ethyl ester
CID 11019331
1-(Methoxymethyl)-3-methylcyclobutane-1-carboxylic acid
CID 120999965
4-Tert-butyloxetan-2-one
CID 9793767
4-Propan-2-yloxetan-2-one
CID 10219406
(3R,4R)-3-methyl-4-propan-2-yloxetan-2-one
CID 10582799
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
2-Oxetanone, 3-methyl-3-propyl-
CID 11815373
4-Tert-butyl-3-methyloxetan-2-one
CID 13024580
3-Methyl-4-propan-2-yloxetan-2-one
CID 15416888
Methyl 3,3-dimethylcyclobutane-1-carboxylate
CID 55296083
beta-Propyl-beta-propiolactone
CID 140015
4-Tert-butyl-3,3-dimethyloxetan-2-one
CID 10329510

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropyl)oxetan-2-one?
The IUPAC name of 3-methyl-3-(2-methylpropyl)oxetan-2-one (CID 154718013) is 3-methyl-3-(2-methylpropyl)oxetan-2-one.
What is the SMILES notation for 3-methyl-3-(2-methylpropyl)oxetan-2-one?
The canonical SMILES for 3-methyl-3-(2-methylpropyl)oxetan-2-one is CC(C)CC1(C)COC1=O.
What is the InChIKey of 3-methyl-3-(2-methylpropyl)oxetan-2-one?
The InChIKey is QGRUAQVHBPQCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)4-8(3)5-10-7(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylpropyl)oxetan-2-one?
3-methyl-3-(2-methylpropyl)oxetan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropyl)oxetan-2-one is sourced from PubChem (CID 154718013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).