methyl 3-propan-2-yloxypropanoate

C7H14O3 — CID 18469515

IUPACmethyl 3-propan-2-yloxypropanoate
SMILESCOC(=O)CCOC(C)C
InChIInChI=1S/C7H14O3/c1-6(2)10-5-4-7(8)9-3/h6H,4-5H2,1-3H3
InChIKeyNOJJPZGRFJRYCY-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.97
Rot. Bonds4

About methyl 3-propan-2-yloxypropanoate

methyl 3-propan-2-yloxypropanoate (PubChem CID 18469515) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 3-propan-2-yloxypropanoate.

Molecular Properties

Compound Namemethyl 3-propan-2-yloxypropanoate
PubChem CID18469515
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl 3-propan-2-yloxypropanoate
SMILESCOC(=O)CCOC(C)C
InChIInChI=1S/C7H14O3/c1-6(2)10-5-4-7(8)9-3/h6H,4-5H2,1-3H3
InChIKeyNOJJPZGRFJRYCY-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl 3-propan-2-yloxypropanoate
CID 141070791
methyl 3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275187
(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid
CID 118255569
(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid
CID 118253846
methyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate
CID 118253843
methyl 5-methyl-6-propan-2-yloxyhexanoate
CID 174386418
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
dimethyl hexanedioate;stannane
CID 173290076
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
dimethyl 4-methylheptanedioate
CID 521222
4-propan-2-yloxy-1-sulfanylbutan-2-one
CID 158803433
1-bromo-4-propan-2-yloxybutan-2-one
CID 15016566

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-yloxypropanoate?
The IUPAC name of methyl 3-propan-2-yloxypropanoate (CID 18469515) is methyl 3-propan-2-yloxypropanoate.
What is the SMILES notation for methyl 3-propan-2-yloxypropanoate?
The canonical SMILES for methyl 3-propan-2-yloxypropanoate is COC(=O)CCOC(C)C.
What is the InChIKey of methyl 3-propan-2-yloxypropanoate?
The InChIKey is NOJJPZGRFJRYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)10-5-4-7(8)9-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-propan-2-yloxypropanoate?
methyl 3-propan-2-yloxypropanoate has a molecular weight of 146.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propan-2-yloxypropanoate is sourced from PubChem (CID 18469515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).