3-tert-butyl-3-ethyloxolan-2-one

C10H18O2 — CID 10261531

IUPAC3-tert-butyl-3-ethyloxolan-2-one
SMILESCCC1(C(C)(C)C)CCOC1=O
InChIInChI=1S/C10H18O2/c1-5-10(9(2,3)4)6-7-12-8(10)11/h5-7H2,1-4H3
InChIKeyLHTNJLBXDQITGL-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds1

About 3-tert-butyl-3-ethyloxolan-2-one

3-tert-butyl-3-ethyloxolan-2-one (PubChem CID 10261531) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-tert-butyl-3-ethyloxolan-2-one.

Molecular Properties

Compound Name3-tert-butyl-3-ethyloxolan-2-one
PubChem CID10261531
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-tert-butyl-3-ethyloxolan-2-one
SMILESCCC1(C(C)(C)C)CCOC1=O
InChIInChI=1S/C10H18O2/c1-5-10(9(2,3)4)6-7-12-8(10)11/h5-7H2,1-4H3
InChIKeyLHTNJLBXDQITGL-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-3-ethyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Isopropyl-alpha-methyl-gamma-butyrolactone
CID 131516
beta-Ethyl-beta-methyl-gamma-butyrolactone
CID 39737
3-Ethyldihydro-3-methyl-2(3H)-furanone
CID 169232
3,3-Diethyloxolan-2-one
CID 14872649
3,3-Di(propan-2-yl)oxolan-2-one
CID 10352121
3-Ethyl-3-propan-2-yloxolan-2-one
CID 10261321
alpha-t-Butyl-gamma-butyrolactone
CID 9989356
Ethyl 3,3,4-trimethylpentanoate
CID 10012374
2(3H)-Furanone, dihydro-4,4-diethyl-
CID 36617
2(3H)-Furanone, dihydro-4,4-dipropyl-
CID 3033386
4-Tert-butyldihydrofuran-2(3h)-one
CID 246579
4-Isopropyldihydrofuran-2(3H)-one
CID 10997052

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-ethyloxolan-2-one?
The IUPAC name of 3-tert-butyl-3-ethyloxolan-2-one (CID 10261531) is 3-tert-butyl-3-ethyloxolan-2-one.
What is the SMILES notation for 3-tert-butyl-3-ethyloxolan-2-one?
The canonical SMILES for 3-tert-butyl-3-ethyloxolan-2-one is CCC1(C(C)(C)C)CCOC1=O.
What is the InChIKey of 3-tert-butyl-3-ethyloxolan-2-one?
The InChIKey is LHTNJLBXDQITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(9(2,3)4)6-7-12-8(10)11/h5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-3-ethyloxolan-2-one?
3-tert-butyl-3-ethyloxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-ethyloxolan-2-one is sourced from PubChem (CID 10261531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).