2-butanoyloxyethyl butanoate;methane

C12H26O4 — CID 161018761

IUPAC2-butanoyloxyethyl butanoate;methane
SMILESC.C.CCCC(=O)OCCOC(=O)CCC
InChIInChI=1S/C10H18O4.2CH4/c1-3-5-9(11)13-7-8-14-10(12)6-4-2;;/h3-8H2,1-2H3;2*1H4
InChIKeyTYBRIZAOMVZYGH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds7

About 2-butanoyloxyethyl butanoate;methane

2-butanoyloxyethyl butanoate;methane (PubChem CID 161018761) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-butanoyloxyethyl butanoate;methane.

Molecular Properties

Compound Name2-butanoyloxyethyl butanoate;methane
PubChem CID161018761
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-butanoyloxyethyl butanoate;methane
SMILESC.C.CCCC(=O)OCCOC(=O)CCC
InChIInChI=1S/C10H18O4.2CH4/c1-3-5-9(11)13-7-8-14-10(12)6-4-2;;/h3-8H2,1-2H3;2*1H4
InChIKeyTYBRIZAOMVZYGH-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;propyl butanoate
CID 157187060
2-carboxyoxyethyl butanoate
CID 140975603
pentyl butanoate
CID 10890
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
[2-(2-butanoyloxyethoxy)-2-oxoethyl]-diethylsulfanium
CID 58780124
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
pentadecyl butanoate
CID 560582
CID 161369205
CID 161369205
3-butanoyloxypropanoic acid;ethane
CID 159299960
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
CID 88656845
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556
2-butanoyloxyethyl 2-bromo-2-methylpropanoate
CID 177392041

Frequently Asked Questions

What is the IUPAC name of 2-butanoyloxyethyl butanoate;methane?
The IUPAC name of 2-butanoyloxyethyl butanoate;methane (CID 161018761) is 2-butanoyloxyethyl butanoate;methane.
What is the SMILES notation for 2-butanoyloxyethyl butanoate;methane?
The canonical SMILES for 2-butanoyloxyethyl butanoate;methane is C.C.CCCC(=O)OCCOC(=O)CCC.
What is the InChIKey of 2-butanoyloxyethyl butanoate;methane?
The InChIKey is TYBRIZAOMVZYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2CH4/c1-3-5-9(11)13-7-8-14-10(12)6-4-2;;/h3-8H2,1-2H3;2*1H4.
What are the key properties of 2-butanoyloxyethyl butanoate;methane?
2-butanoyloxyethyl butanoate;methane has a molecular weight of 234.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyloxyethyl butanoate;methane is sourced from PubChem (CID 161018761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).