4,4,5,5-tetramethyloxolan-2-one

C8H14O2 — CID 547832

IUPAC4,4,5,5-tetramethyloxolan-2-one
SMILESCC1(C)CC(=O)OC1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)5-6(9)10-8(7,3)4/h5H2,1-4H3
InChIKeyDAQWSSBMLDRMBQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds

About 4,4,5,5-tetramethyloxolan-2-one

4,4,5,5-tetramethyloxolan-2-one (PubChem CID 547832) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyloxolan-2-one.

Molecular Properties

Compound Name4,4,5,5-tetramethyloxolan-2-one
PubChem CID547832
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,4,5,5-tetramethyloxolan-2-one
SMILESCC1(C)CC(=O)OC1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)5-6(9)10-8(7,3)4/h5H2,1-4H3
InChIKeyDAQWSSBMLDRMBQ-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
CID 131848322
(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
CID 5325909
5,5-diheptyl-4,4-dimethyloxolan-2-one
CID 10781290
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
(4S)-4-methyl-4-(3,5,7-trimethyl-1-adamantyl)oxetan-2-one
CID 7123511
(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
CID 22650073
N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide
CID 159979599
5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 20789692
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
CID 11789099
4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 89419588
15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one
CID 123798479

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyloxolan-2-one?
The IUPAC name of 4,4,5,5-tetramethyloxolan-2-one (CID 547832) is 4,4,5,5-tetramethyloxolan-2-one.
What is the SMILES notation for 4,4,5,5-tetramethyloxolan-2-one?
The canonical SMILES for 4,4,5,5-tetramethyloxolan-2-one is CC1(C)CC(=O)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyloxolan-2-one?
The InChIKey is DAQWSSBMLDRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)5-6(9)10-8(7,3)4/h5H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyloxolan-2-one?
4,4,5,5-tetramethyloxolan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyloxolan-2-one is sourced from PubChem (CID 547832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).