methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate

C14H26O5 — CID 134212603

IUPACmethyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
SMILESCCC(C)OCC(C)(COC(=O)C(C)C)C(=O)OC
InChIInChI=1S/C14H26O5/c1-7-11(4)18-8-14(5,13(16)17-6)9-19-12(15)10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyPFPXDZJYPCIUGF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds8

About methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate

methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate (PubChem CID 134212603) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
PubChem CID134212603
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namemethyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
SMILESCCC(C)OCC(C)(COC(=O)C(C)C)C(=O)OC
InChIInChI=1S/C14H26O5/c1-7-11(4)18-8-14(5,13(16)17-6)9-19-12(15)10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyPFPXDZJYPCIUGF-UHFFFAOYSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate
CID 140728849
3-butan-2-yloxy-2,2-dimethylpropanehydrazide
CID 79628507
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
CID 102980035
[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
CID 23464144
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531922
(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
CID 20523360
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
[(3S)-3-methoxy-2,2,4-trimethylpentyl] 2-methylpropanoate
CID 89335990
heptadecan-9-yl 6-[2-methyl-2-(2-methylpropanoyloxymethyl)-3-propan-2-yloxypropanoyl]oxyhexanoate
CID 176774614
2-aminobutyl 2-methylpropanoate
CID 123412425
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072

Frequently Asked Questions

What is the IUPAC name of methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate?
The IUPAC name of methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate (CID 134212603) is methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate.
What is the SMILES notation for methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate?
The canonical SMILES for methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate is CCC(C)OCC(C)(COC(=O)C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate?
The InChIKey is PFPXDZJYPCIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-7-11(4)18-8-14(5,13(16)17-6)9-19-12(15)10(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate?
methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate has a molecular weight of 274.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate is sourced from PubChem (CID 134212603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).