2,5-diethyl-2,5-dimethyloxolan-3-one

C10H18O2 — CID 28877

IUPAC2,5-diethyl-2,5-dimethyloxolan-3-one
SMILESCCC1(C)CC(=O)C(C)(CC)O1
InChIInChI=1S/C10H18O2/c1-5-9(3)7-8(11)10(4,6-2)12-9/h5-7H2,1-4H3
InChIKeyZRKCXPIUZAYNFE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.31
Rot. Bonds2

About 2,5-diethyl-2,5-dimethyloxolan-3-one

2,5-diethyl-2,5-dimethyloxolan-3-one (PubChem CID 28877) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,5-diethyl-2,5-dimethyloxolan-3-one.

Molecular Properties

Compound Name2,5-diethyl-2,5-dimethyloxolan-3-one
PubChem CID28877
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,5-diethyl-2,5-dimethyloxolan-3-one
SMILESCCC1(C)CC(=O)C(C)(CC)O1
InChIInChI=1S/C10H18O2/c1-5-9(3)7-8(11)10(4,6-2)12-9/h5-7H2,1-4H3
InChIKeyZRKCXPIUZAYNFE-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

InChI=1/C8H14O2/c1-4-8(3)5-7(9)6(2)10-8/h6H,4-5H2,1-3H3
CID 12209882
2,2-Dimethyl-1-oxaspiro[4.5]decan-4-one
CID 12282979
2,2-Dimethyl-1-oxaspiro[4.5]decan-3-one
CID 12283024
2-Ethyl-2,5,5-trimethyloxolan-3-one
CID 14219945
5-Ethyl-2,2,5-trimethyloxolan-3-one
CID 14219946
2,2-Dibutyloxolan-3-one
CID 20548833
5-Ethyl-2,4,5-trimethyloxolan-3-one
CID 57617202
2,2-Dimethyl-1-oxaspiro[4.4]nonan-3-one
CID 59562566
2,2-Dimethyl-1-oxaspiro[4.4]nonan-4-one
CID 59562586
2,2-Dimethyl-5-pentyloxolan-3-one
CID 67724858
2,2-Dimethyl-5-octyloxolan-3-one
CID 89893347
3-Butyl-1-oxaspiro[4.4]nonan-4-one
CID 118519554

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-2,5-dimethyloxolan-3-one?
The IUPAC name of 2,5-diethyl-2,5-dimethyloxolan-3-one (CID 28877) is 2,5-diethyl-2,5-dimethyloxolan-3-one.
What is the SMILES notation for 2,5-diethyl-2,5-dimethyloxolan-3-one?
The canonical SMILES for 2,5-diethyl-2,5-dimethyloxolan-3-one is CCC1(C)CC(=O)C(C)(CC)O1.
What is the InChIKey of 2,5-diethyl-2,5-dimethyloxolan-3-one?
The InChIKey is ZRKCXPIUZAYNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(3)7-8(11)10(4,6-2)12-9/h5-7H2,1-4H3.
What are the key properties of 2,5-diethyl-2,5-dimethyloxolan-3-one?
2,5-diethyl-2,5-dimethyloxolan-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-2,5-dimethyloxolan-3-one is sourced from PubChem (CID 28877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).