methyl (2R)-3-butoxy-2-methylpropanoate

C9H18O3 — CID 88918019

IUPACmethyl (2R)-3-butoxy-2-methylpropanoate
SMILESCCCCOC[C@@H](C)C(=O)OC
InChIInChI=1S/C9H18O3/c1-4-5-6-12-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyNZJLCKJRJVPHJR-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.61
Rot. Bonds6

About methyl (2R)-3-butoxy-2-methylpropanoate

methyl (2R)-3-butoxy-2-methylpropanoate (PubChem CID 88918019) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl (2R)-3-butoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-butoxy-2-methylpropanoate
PubChem CID88918019
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl (2R)-3-butoxy-2-methylpropanoate
SMILESCCCCOC[C@@H](C)C(=O)OC
InChIInChI=1S/C9H18O3/c1-4-5-6-12-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyNZJLCKJRJVPHJR-MRVPVSSYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R)-3-butoxy-2-methylpropanoate 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

ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
methyl 3-butoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134525885
(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
propyl 2-methyl-3-propoxypropanoate
CID 54511577
methyl 5-ethoxy-2-methylpentanoate
CID 123669552
(3-methoxy-2-methyl-3-oxopropyl) heptanoate
CID 91364088
methyl (2R)-2-methyltetradecanoate
CID 163045577
3-butoxy-2-chloropropanamide
CID 20565963
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-butoxy-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-butoxy-2-methylpropanoate (CID 88918019) is methyl (2R)-3-butoxy-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-butoxy-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-butoxy-2-methylpropanoate is CCCCOC[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-3-butoxy-2-methylpropanoate?
The InChIKey is NZJLCKJRJVPHJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-6-12-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-butoxy-2-methylpropanoate?
methyl (2R)-3-butoxy-2-methylpropanoate has a molecular weight of 174.24 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-butoxy-2-methylpropanoate is sourced from PubChem (CID 88918019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).