5,5-dimethyloxolan-2-one

C6H10O2 — CID 18398

IUPAC5,5-dimethyloxolan-2-one
SMILESCC1(C)CCC(=O)O1
InChIInChI=1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3
InChIKeyNPHAVLULUWJQAS-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.10
Rot. Bonds

About 5,5-dimethyloxolan-2-one

5,5-dimethyloxolan-2-one (PubChem CID 18398) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name5,5-dimethyloxolan-2-one
PubChem CID18398
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name5,5-dimethyloxolan-2-one
SMILESCC1(C)CCC(=O)O1
InChIInChI=1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3
InChIKeyNPHAVLULUWJQAS-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydro-3,5-dimethyl-2(3H)-furanone
CID 21227
2(3H)-Furanone, 3-ethyldihydro-5,5-dimethyl-
CID 12393270
5-Ethyl-5-methyloxolan-2-one
CID 567124
2(3H)-Furanone, dihydro-3,5-dimethyl-, cis-
CID 12216757
3,5,5-Trimethyloxolan-2-one
CID 13000821
4-Ethyl-4,5,5-trimethyloxolan-2-one
CID 14714440
3-Ethyl-3,5,5-trimethyloxolan-2-one
CID 14714443
2(3H)-Furanone, dihydro-4,4,5,5-tetramethyl-
CID 547832
5,5-Diethyldihydrofuran-2(3h)-one
CID 252561
InChI=1/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s
CID 5324164
(3S,5S)-3,5-dimethyloxolan-2-one
CID 5324165
2(3H)-Furanone, dihydro-4,5,5-trimethyl-
CID 11159336

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyloxolan-2-one?
The IUPAC name of 5,5-dimethyloxolan-2-one (CID 18398) is 5,5-dimethyloxolan-2-one.
What is the SMILES notation for 5,5-dimethyloxolan-2-one?
The canonical SMILES for 5,5-dimethyloxolan-2-one is CC1(C)CCC(=O)O1.
What is the InChIKey of 5,5-dimethyloxolan-2-one?
The InChIKey is NPHAVLULUWJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3.
What are the key properties of 5,5-dimethyloxolan-2-one?
5,5-dimethyloxolan-2-one has a molecular weight of 114.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyloxolan-2-one is sourced from PubChem (CID 18398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).