butan-1-ol;ethyl butanoate;methane

C11H26O3 — CID 159268978

IUPACbutan-1-ol;ethyl butanoate;methane
SMILESC.CCCC(=O)OCC.CCCCO
InChIInChI=1S/C6H12O2.C4H10O.CH4/c1-3-5-6(7)8-4-2;1-2-3-4-5;/h3-5H2,1-2H3;5H,2-4H2,1H3;1H4
InChIKeyKXLSHKWCJUCELY-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.76
Rot. Bonds5

About butan-1-ol;ethyl butanoate;methane

butan-1-ol;ethyl butanoate;methane (PubChem CID 159268978) has the molecular formula C11H26O3 and a molecular weight of 206.33 g/mol. Its IUPAC name is butan-1-ol;ethyl butanoate;methane.

Molecular Properties

Compound Namebutan-1-ol;ethyl butanoate;methane
PubChem CID159268978
Molecular FormulaC11H26O3
Molecular Weight206.33 g/mol
Exact Mass206.19
IUPAC Namebutan-1-ol;ethyl butanoate;methane
SMILESC.CCCC(=O)OCC.CCCCO
InChIInChI=1S/C6H12O2.C4H10O.CH4/c1-3-5-6(7)8-4-2;1-2-3-4-5;/h3-5H2,1-2H3;5H,2-4H2,1H3;1H4
InChIKeyKXLSHKWCJUCELY-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
butan-1-ol;ethyl propanoate
CID 157384460
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl octadecanoate;octadecan-1-ol
CID 167711547
ethyl 3-hydroxypropanoate;heptane
CID 18415145
butane-2,3-dione;ethyl butanoate
CID 158568600
ethyl butanoate;ethyl propanoate
CID 159309203
bis(butan-1-ol);bis(2-butanoyloxyacetate);titanium(2+)
CID 159819746
ethyl 3-hydroxypropanoate
CID 160663371
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethyl butanoate;methane?
The IUPAC name of butan-1-ol;ethyl butanoate;methane (CID 159268978) is butan-1-ol;ethyl butanoate;methane.
What is the SMILES notation for butan-1-ol;ethyl butanoate;methane?
The canonical SMILES for butan-1-ol;ethyl butanoate;methane is C.CCCC(=O)OCC.CCCCO.
What is the InChIKey of butan-1-ol;ethyl butanoate;methane?
The InChIKey is KXLSHKWCJUCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H10O.CH4/c1-3-5-6(7)8-4-2;1-2-3-4-5;/h3-5H2,1-2H3;5H,2-4H2,1H3;1H4.
What are the key properties of butan-1-ol;ethyl butanoate;methane?
butan-1-ol;ethyl butanoate;methane has a molecular weight of 206.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethyl butanoate;methane is sourced from PubChem (CID 159268978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).