5-methyl-3,4-di(propan-2-yl)oxolan-2-one

C11H20O2 — CID 22888299

IUPAC5-methyl-3,4-di(propan-2-yl)oxolan-2-one
SMILESCC(C)C1C(=O)OC(C)C1C(C)C
InChIInChI=1S/C11H20O2/c1-6(2)9-8(5)13-11(12)10(9)7(3)4/h6-10H,1-5H3
InChIKeyPALRYPJQLWFTJS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds2

About 5-methyl-3,4-di(propan-2-yl)oxolan-2-one

5-methyl-3,4-di(propan-2-yl)oxolan-2-one (PubChem CID 22888299) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methyl-3,4-di(propan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3,4-di(propan-2-yl)oxolan-2-one
PubChem CID22888299
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-methyl-3,4-di(propan-2-yl)oxolan-2-one
SMILESCC(C)C1C(=O)OC(C)C1C(C)C
InChIInChI=1S/C11H20O2/c1-6(2)9-8(5)13-11(12)10(9)7(3)4/h6-10H,1-5H3
InChIKeyPALRYPJQLWFTJS-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
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
3,3-Di(propan-2-yl)oxolan-2-one
CID 10352121
3-Ethyl-3-propan-2-yloxolan-2-one
CID 10261321
(4S,5S)-4,5-dimethyldihydro-2(3H)-furanone
CID 11274985
2-Pentyl 2-methylpentanoate
CID 57090934
2(3H)-Furanone, dihydro-3-propyl-
CID 10909594
Dihydro-4,5-dimethyl-2(3H)-furanone
CID 248934
2(3H)-Furanone, dihydro-3,5-dimethyl-, cis-
CID 12216757
3-Ethyldihydro-5-methyl-2(3H)-furanone
CID 29716
2(3H)-Furanone, dihydro-3-isopropyl-5-methyl-
CID 29717
3-Butyl-5-methyloxolan-2-one
CID 29718

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-di(propan-2-yl)oxolan-2-one?
The IUPAC name of 5-methyl-3,4-di(propan-2-yl)oxolan-2-one (CID 22888299) is 5-methyl-3,4-di(propan-2-yl)oxolan-2-one.
What is the SMILES notation for 5-methyl-3,4-di(propan-2-yl)oxolan-2-one?
The canonical SMILES for 5-methyl-3,4-di(propan-2-yl)oxolan-2-one is CC(C)C1C(=O)OC(C)C1C(C)C.
What is the InChIKey of 5-methyl-3,4-di(propan-2-yl)oxolan-2-one?
The InChIKey is PALRYPJQLWFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6(2)9-8(5)13-11(12)10(9)7(3)4/h6-10H,1-5H3.
What are the key properties of 5-methyl-3,4-di(propan-2-yl)oxolan-2-one?
5-methyl-3,4-di(propan-2-yl)oxolan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-di(propan-2-yl)oxolan-2-one is sourced from PubChem (CID 22888299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).