(5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate

C16H28O5 — CID 123842143

IUPAC(5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(C(=O)OCC1OC(=O)OC1C)C(C)(C)C
InChIInChI=1S/C16H28O5/c1-10(2)8-16(7,15(4,5)6)13(17)19-9-12-11(3)20-14(18)21-12/h10-12H,8-9H2,1-7H3
InChIKeyUMDANUJBWIJIDG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.55
Rot. Bonds5

About (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate

(5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate (PubChem CID 123842143) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate
PubChem CID123842143
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name(5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(C(=O)OCC1OC(=O)OC1C)C(C)(C)C
InChIInChI=1S/C16H28O5/c1-10(2)8-16(7,15(4,5)6)13(17)19-9-12-11(3)20-14(18)21-12/h10-12H,8-9H2,1-7H3
InChIKeyUMDANUJBWIJIDG-UHFFFAOYSA-N
XLogP3.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate 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-(3-oxobutanoyloxy)ethyl 2-tert-butyl-2,4-dimethylpentanoate
CID 89143249
2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate
CID 137436474
3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate
CID 123384477
2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid
CID 54244511
4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one
CID 14039899
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
(5-cyano-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate
CID 170035479
[2-[(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]-2-oxoethyl] 2-tert-butyl-2,4-dimethylpentanoate
CID 144692153
ethyl 2-iodo-2-[(4R,5S)-5-methyl-2-oxo-1,3-dioxolan-4-yl]propanoate
CID 10426610
4-[(2-methylpropan-2-yl)oxy]butan-2-yl 2-tert-butyl-2,4-dimethylpentanoate
CID 89324918
(3-methyloxiran-2-yl)methyl 2,4,4,5-tetramethylhexanoate
CID 91028828
2-(1-adamantyl)propan-2-yl 2-tert-butyl-2,4-dimethylpentanoate
CID 123331394

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate (CID 123842143) is (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate is CC(C)CC(C)(C(=O)OCC1OC(=O)OC1C)C(C)(C)C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate?
The InChIKey is UMDANUJBWIJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-10(2)8-16(7,15(4,5)6)13(17)19-9-12-11(3)20-14(18)21-12/h10-12H,8-9H2,1-7H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate?
(5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate has a molecular weight of 300.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-tert-butyl-2,4-dimethylpentanoate is sourced from PubChem (CID 123842143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).