methyl 2-(1-methoxypropan-2-yloxy)butanoate

C9H18O4 — CID 42641525

IUPACmethyl 2-(1-methoxypropan-2-yloxy)butanoate
SMILESCCC(OC(C)COC)C(=O)OC
InChIInChI=1S/C9H18O4/c1-5-8(9(10)12-4)13-7(2)6-11-3/h7-8H,5-6H2,1-4H3
InChIKeySPWJGMUVYMCVOG-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds6

About methyl 2-(1-methoxypropan-2-yloxy)butanoate

methyl 2-(1-methoxypropan-2-yloxy)butanoate (PubChem CID 42641525) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl 2-(1-methoxypropan-2-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(1-methoxypropan-2-yloxy)butanoate
PubChem CID42641525
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namemethyl 2-(1-methoxypropan-2-yloxy)butanoate
SMILESCCC(OC(C)COC)C(=O)OC
InChIInChI=1S/C9H18O4/c1-5-8(9(10)12-4)13-7(2)6-11-3/h7-8H,5-6H2,1-4H3
InChIKeySPWJGMUVYMCVOG-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxypropan-2-yloxy)pentanehydrazide
CID 83047017
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
CID 62535658
tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
CID 66338285
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555
bis(4-[2-(1-carboxylato-2-oxopentan-3-yl)oxypropoxy]-3-oxohexanoate);titanium(4+)
CID 175727695
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-cyclopropyloxybutanoate
CID 175037887
2-(2-methoxyethoxy)butanehydrazide
CID 63575929
2-(2-methoxyethoxy)butanamide
CID 62900293
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxypropan-2-yloxy)butanoate?
The IUPAC name of methyl 2-(1-methoxypropan-2-yloxy)butanoate (CID 42641525) is methyl 2-(1-methoxypropan-2-yloxy)butanoate.
What is the SMILES notation for methyl 2-(1-methoxypropan-2-yloxy)butanoate?
The canonical SMILES for methyl 2-(1-methoxypropan-2-yloxy)butanoate is CCC(OC(C)COC)C(=O)OC.
What is the InChIKey of methyl 2-(1-methoxypropan-2-yloxy)butanoate?
The InChIKey is SPWJGMUVYMCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-8(9(10)12-4)13-7(2)6-11-3/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-(1-methoxypropan-2-yloxy)butanoate?
methyl 2-(1-methoxypropan-2-yloxy)butanoate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxypropan-2-yloxy)butanoate is sourced from PubChem (CID 42641525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).