methyl 3-butoxy-2,2-dimethylpropanoate

C10H20O3 — CID 79623220

IUPACmethyl 3-butoxy-2,2-dimethylpropanoate
SMILESCCCCOCC(C)(C)C(=O)OC
InChIInChI=1S/C10H20O3/c1-5-6-7-13-8-10(2,3)9(11)12-4/h5-8H2,1-4H3
InChIKeyFJVNXIILGHIPTQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds6

About methyl 3-butoxy-2,2-dimethylpropanoate

methyl 3-butoxy-2,2-dimethylpropanoate (PubChem CID 79623220) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 3-butoxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-butoxy-2,2-dimethylpropanoate
PubChem CID79623220
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 3-butoxy-2,2-dimethylpropanoate
SMILESCCCCOCC(C)(C)C(=O)OC
InChIInChI=1S/C10H20O3/c1-5-6-7-13-8-10(2,3)9(11)12-4/h5-8H2,1-4H3
InChIKeyFJVNXIILGHIPTQ-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
CID 106939453
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
butyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)ethyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;bromide
CID 159358971
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
1-butoxybutane;propan-2-one
CID 18424800
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
1-(2-butoxyethoxy)-3,3-dimethylbutan-2-one
CID 43800229
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613

Frequently Asked Questions

What is the IUPAC name of methyl 3-butoxy-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-butoxy-2,2-dimethylpropanoate (CID 79623220) is methyl 3-butoxy-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-butoxy-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-butoxy-2,2-dimethylpropanoate is CCCCOCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-butoxy-2,2-dimethylpropanoate?
The InChIKey is FJVNXIILGHIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-7-13-8-10(2,3)9(11)12-4/h5-8H2,1-4H3.
What are the key properties of methyl 3-butoxy-2,2-dimethylpropanoate?
methyl 3-butoxy-2,2-dimethylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butoxy-2,2-dimethylpropanoate is sourced from PubChem (CID 79623220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).