butane;ethanol;hexane

C12H30O — CID 174644566

IUPACbutane;ethanol;hexane
SMILESCCCC.CCCCCC.CCO
InChIInChI=1S/C6H14.C4H10.C2H6O/c1-3-5-6-4-2;1-3-4-2;1-2-3/h3-6H2,1-2H3;3-4H2,1-2H3;3H,2H2,1H3
InChIKeyRWOWPEMXMNRAGQ-UHFFFAOYSA-N
MW190.37 g/mol
LogP4.39
Rot. Bonds4

About butane;ethanol;hexane

butane;ethanol;hexane (PubChem CID 174644566) has the molecular formula C12H30O and a molecular weight of 190.37 g/mol. Its IUPAC name is butane;ethanol;hexane.

Molecular Properties

Compound Namebutane;ethanol;hexane
PubChem CID174644566
Molecular FormulaC12H30O
Molecular Weight190.37 g/mol
Exact Mass190.23
IUPAC Namebutane;ethanol;hexane
SMILESCCCC.CCCCCC.CCO
InChIInChI=1S/C6H14.C4H10.C2H6O/c1-3-5-6-4-2;1-3-4-2;1-2-3/h3-6H2,1-2H3;3-4H2,1-2H3;3H,2H2,1H3
InChIKeyRWOWPEMXMNRAGQ-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanol;bis(heptane);bis(hexane)
CID 173110983
methanediol;nonane
CID 159588378
ethanol;hexadecane
CID 21185421
ethanol;heptane;methane
CID 160925089
ethanol;heptadecan-1-ol
CID 160681961
CID 175738153
CID 175738153
butane;butan-1-ol
CID 19774960
decane;propan-1-ol
CID 157421705
heptan-1-ol;hydrazine
CID 159330416
butane;ethane;heptane
CID 143121250
hydrazine;pentadecane
CID 174880620
hexane;hypochlorous acid
CID 88775298

Frequently Asked Questions

What is the IUPAC name of butane;ethanol;hexane?
The IUPAC name of butane;ethanol;hexane (CID 174644566) is butane;ethanol;hexane.
What is the SMILES notation for butane;ethanol;hexane?
The canonical SMILES for butane;ethanol;hexane is CCCC.CCCCCC.CCO.
What is the InChIKey of butane;ethanol;hexane?
The InChIKey is RWOWPEMXMNRAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H10.C2H6O/c1-3-5-6-4-2;1-3-4-2;1-2-3/h3-6H2,1-2H3;3-4H2,1-2H3;3H,2H2,1H3.
What are the key properties of butane;ethanol;hexane?
butane;ethanol;hexane has a molecular weight of 190.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethanol;hexane is sourced from PubChem (CID 174644566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).