tert-butyl 3,3-dimethylbutanoate;methane

C11H24O2 — CID 161060184

IUPACtert-butyl 3,3-dimethylbutanoate;methane
SMILESC.CC(C)(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O2.CH4/c1-9(2,3)7-8(11)12-10(4,5)6;/h7H2,1-6H3;1H4
InChIKeyUDHGEMHUJHTMCB-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.40
Rot. Bonds1

About tert-butyl 3,3-dimethylbutanoate;methane

tert-butyl 3,3-dimethylbutanoate;methane (PubChem CID 161060184) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is tert-butyl 3,3-dimethylbutanoate;methane.

Molecular Properties

Compound Nametert-butyl 3,3-dimethylbutanoate;methane
PubChem CID161060184
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nametert-butyl 3,3-dimethylbutanoate;methane
SMILESC.CC(C)(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O2.CH4/c1-9(2,3)7-8(11)12-10(4,5)6;/h7H2,1-6H3;1H4
InChIKeyUDHGEMHUJHTMCB-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 3,3-dimethylbutanoate;methane 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

tert-butyl 3,3-dimethylbutanoate;2-tert-butyl-3,3-dimethylbutanoic acid
CID 160513867
tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
CID 87168072
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
tert-butyl 3-(tert-butylamino)-3-methylbutanoate
CID 173368452
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
tert-butyl 3,4-diamino-3-methyl-4-oxobutanoate
CID 56999618
3,3-dimethylbutanoylperoxy 3,3-dimethylbutaneperoxoate
CID 54039379
ditert-butyl pentanedioate
CID 3016405
tert-butyl propanoate;hydrobromide
CID 172778720
(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 156619683
(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid
CID 159806764

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dimethylbutanoate;methane?
The IUPAC name of tert-butyl 3,3-dimethylbutanoate;methane (CID 161060184) is tert-butyl 3,3-dimethylbutanoate;methane.
What is the SMILES notation for tert-butyl 3,3-dimethylbutanoate;methane?
The canonical SMILES for tert-butyl 3,3-dimethylbutanoate;methane is C.CC(C)(C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3,3-dimethylbutanoate;methane?
The InChIKey is UDHGEMHUJHTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.CH4/c1-9(2,3)7-8(11)12-10(4,5)6;/h7H2,1-6H3;1H4.
What are the key properties of tert-butyl 3,3-dimethylbutanoate;methane?
tert-butyl 3,3-dimethylbutanoate;methane has a molecular weight of 188.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dimethylbutanoate;methane is sourced from PubChem (CID 161060184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).