ethyl 3-butanoyloxy-2-methylpropanoate

C10H18O4 — CID 174484909

IUPACethyl 3-butanoyloxy-2-methylpropanoate
SMILESCCCC(=O)OCC(C)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-4-6-9(11)14-7-8(3)10(12)13-5-2/h8H,4-7H2,1-3H3
InChIKeyPKJGGCQMXZDEMJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.53
Rot. Bonds6

About ethyl 3-butanoyloxy-2-methylpropanoate

ethyl 3-butanoyloxy-2-methylpropanoate (PubChem CID 174484909) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-butanoyloxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-butanoyloxy-2-methylpropanoate
PubChem CID174484909
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-butanoyloxy-2-methylpropanoate
SMILESCCCC(=O)OCC(C)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-4-6-9(11)14-7-8(3)10(12)13-5-2/h8H,4-7H2,1-3H3
InChIKeyPKJGGCQMXZDEMJ-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
2-aminopropyl butanoate
CID 87536199
diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
diethyl 2-methylhexanedioate
CID 568427
ethyl 3,4-di(butanoyloxy)butanoate
CID 139957363
butane-2,3-dione;ethyl butanoate
CID 158568600
ethyl butanoate;ethyl propanoate
CID 159309203
ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate
CID 122517581
(3-methoxy-2-methyl-3-oxopropyl) heptanoate
CID 91364088
ethyl butanoate;formic acid
CID 160963123

Frequently Asked Questions

What is the IUPAC name of ethyl 3-butanoyloxy-2-methylpropanoate?
The IUPAC name of ethyl 3-butanoyloxy-2-methylpropanoate (CID 174484909) is ethyl 3-butanoyloxy-2-methylpropanoate.
What is the SMILES notation for ethyl 3-butanoyloxy-2-methylpropanoate?
The canonical SMILES for ethyl 3-butanoyloxy-2-methylpropanoate is CCCC(=O)OCC(C)C(=O)OCC.
What is the InChIKey of ethyl 3-butanoyloxy-2-methylpropanoate?
The InChIKey is PKJGGCQMXZDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-6-9(11)14-7-8(3)10(12)13-5-2/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 3-butanoyloxy-2-methylpropanoate?
ethyl 3-butanoyloxy-2-methylpropanoate has a molecular weight of 202.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-butanoyloxy-2-methylpropanoate is sourced from PubChem (CID 174484909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).