5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one

C11H18O2 — CID 20761809

IUPAC5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=C(C(C)(C)C)C(=O)OC(C)C1
InChIInChI=1S/C11H18O2/c1-7-6-8(2)13-10(12)9(7)11(3,4)5/h8H,6H2,1-5H3
InChIKeyLLVKGZRFWICNTN-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds

About 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one

5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one (PubChem CID 20761809) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one
PubChem CID20761809
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=C(C(C)(C)C)C(=O)OC(C)C1
InChIInChI=1S/C11H18O2/c1-7-6-8(2)13-10(12)9(7)11(3,4)5/h8H,6H2,1-5H3
InChIKeyLLVKGZRFWICNTN-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-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

2,5-Di-t-butyl-2h-pyran-3,6-dione
CID 129712420
2,4-ditert-butyl-2H-furan-5-one
CID 12383528
3,3,4,5-Tetramethylpyran-2,6-dione
CID 20695507
2,4,5-Trimethyl-2,3-dihydropyran-6-one
CID 18538217
Ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate
CID 18551456
5-Tert-butyl-4-methoxy-2-methyl-2,3-dihydropyran-6-one
CID 20761816
Ethyl 2,6,6-trimethylcyclohexa-1,4-diene-1-carboxylate
CID 21430987
4,5-Dimethyl-2-propan-2-yl-2,3-dihydropyran-6-one
CID 25215392
2,3,5-Trimethyl-6-oxo-2,3-dihydropyran-4-olate
CID 53807042
3,4,5,5,6,6-Hexamethylpyran-2-one
CID 58307846
Propan-2-yl 4-methyl-2,3-di(propan-2-yl)pent-2-enoate
CID 58526747
3,4-ditert-butyl-2H-furan-5-one
CID 59206947

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one (CID 20761809) is 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one is CC1=C(C(C)(C)C)C(=O)OC(C)C1.
What is the InChIKey of 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is LLVKGZRFWICNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-6-8(2)13-10(12)9(7)11(3,4)5/h8H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one?
5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 182.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 20761809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).