2-methoxy-2-methylpropane;pentan-3-one

C10H22O2 — CID 87285903

IUPAC2-methoxy-2-methylpropane;pentan-3-one
SMILESCCC(=O)CC.COC(C)(C)C
InChIInChI=1S/C5H12O.C5H10O/c1-5(2,3)6-4;1-3-5(6)4-2/h1-4H3;3-4H2,1-2H3
InChIKeyBJZPMEICKGVCGG-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.81
Rot. Bonds2

About 2-methoxy-2-methylpropane;pentan-3-one

2-methoxy-2-methylpropane;pentan-3-one (PubChem CID 87285903) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;pentan-3-one.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;pentan-3-one
PubChem CID87285903
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-methoxy-2-methylpropane;pentan-3-one
SMILESCCC(=O)CC.COC(C)(C)C
InChIInChI=1S/C5H12O.C5H10O/c1-5(2,3)6-4;1-3-5(6)4-2/h1-4H3;3-4H2,1-2H3
InChIKeyBJZPMEICKGVCGG-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-2-methylpropane;pentan-3-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

1,2-dimethoxyethane;pentan-3-one
CID 87877054
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
8-methoxy-8-methylnonan-3-one
CID 103037503
benzene;pentan-3-one
CID 67378865
ethane-1,2-diol;pentan-3-one
CID 87374843
2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
CID 161359364
2-methoxy-2-methylpropane;pentane
CID 22145886
2-methylprop-1-ene;pentan-3-one
CID 174897916
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
5,5-dihydroxyhexan-3-one
CID 57119015

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;pentan-3-one?
The IUPAC name of 2-methoxy-2-methylpropane;pentan-3-one (CID 87285903) is 2-methoxy-2-methylpropane;pentan-3-one.
What is the SMILES notation for 2-methoxy-2-methylpropane;pentan-3-one?
The canonical SMILES for 2-methoxy-2-methylpropane;pentan-3-one is CCC(=O)CC.COC(C)(C)C.
What is the InChIKey of 2-methoxy-2-methylpropane;pentan-3-one?
The InChIKey is BJZPMEICKGVCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C5H10O/c1-5(2,3)6-4;1-3-5(6)4-2/h1-4H3;3-4H2,1-2H3.
What are the key properties of 2-methoxy-2-methylpropane;pentan-3-one?
2-methoxy-2-methylpropane;pentan-3-one has a molecular weight of 174.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;pentan-3-one is sourced from PubChem (CID 87285903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).