butane;ethoxyethane;methane;pentane

C16H44O — CID 158883576

IUPACbutane;ethoxyethane;methane;pentane
SMILESC.C.C.CCCC.CCCCC.CCOCC
InChIInChI=1S/C5H12.C4H10O.C4H10.3CH4/c2*1-3-5-4-2;1-3-4-2;;;/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3*1H4
InChIKeyJDIFDBCGQXXPAR-UHFFFAOYSA-N
MW252.53 g/mol
LogP6.95
Rot. Bonds5

About butane;ethoxyethane;methane;pentane

butane;ethoxyethane;methane;pentane (PubChem CID 158883576) has the molecular formula C16H44O and a molecular weight of 252.53 g/mol. Its IUPAC name is butane;ethoxyethane;methane;pentane.

Molecular Properties

Compound Namebutane;ethoxyethane;methane;pentane
PubChem CID158883576
Molecular FormulaC16H44O
Molecular Weight252.53 g/mol
Exact Mass252.34
IUPAC Namebutane;ethoxyethane;methane;pentane
SMILESC.C.C.CCCC.CCCCC.CCOCC
InChIInChI=1S/C5H12.C4H10O.C4H10.3CH4/c2*1-3-5-4-2;1-3-4-2;;;/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3*1H4
InChIKeyJDIFDBCGQXXPAR-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.53
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 171375365
CID 171375365
butane;hexane;methane;pentane
CID 162085022
butane;methane;pentane;yttrium
CID 160675384
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
butane;1,2-diethoxyethane;ethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethane;1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethane;1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane;hexane;octane;pentane;propane;1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane;1-(2-propoxyethoxy)propane;1-propoxypropane
CID 158094641
disodium;ethoxyethane
CID 23107014
ethoxyethane;pentahydrate
CID 141041283
methane;pentane;propane
CID 169428492
ethoxyethane;sulfane
CID 87243372
methane;pentane;propane
CID 159978864
butane;pentane;propane
CID 153402705

Frequently Asked Questions

What is the IUPAC name of butane;ethoxyethane;methane;pentane?
The IUPAC name of butane;ethoxyethane;methane;pentane (CID 158883576) is butane;ethoxyethane;methane;pentane.
What is the SMILES notation for butane;ethoxyethane;methane;pentane?
The canonical SMILES for butane;ethoxyethane;methane;pentane is C.C.C.CCCC.CCCCC.CCOCC.
What is the InChIKey of butane;ethoxyethane;methane;pentane?
The InChIKey is JDIFDBCGQXXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10O.C4H10.3CH4/c2*1-3-5-4-2;1-3-4-2;;;/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3*1H4.
What are the key properties of butane;ethoxyethane;methane;pentane?
butane;ethoxyethane;methane;pentane has a molecular weight of 252.53 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethoxyethane;methane;pentane is sourced from PubChem (CID 158883576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).