ethane;1-ethoxybutane;molecular hydrogen

C8H22O — CID 143792167

IUPACethane;1-ethoxybutane;molecular hydrogen
SMILESCC.CCCCOCC.[H][H]
InChIInChI=1S/C6H14O.C2H6.H2/c1-3-5-6-7-4-2;1-2;/h3-6H2,1-2H3;1-2H3;1H
InChIKeyCPELJEVMFVAGLL-UHFFFAOYSA-N
MW134.26 g/mol
LogP3.10
Rot. Bonds4

About ethane;1-ethoxybutane;molecular hydrogen

ethane;1-ethoxybutane;molecular hydrogen (PubChem CID 143792167) has the molecular formula C8H22O and a molecular weight of 134.26 g/mol. Its IUPAC name is ethane;1-ethoxybutane;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-ethoxybutane;molecular hydrogen
PubChem CID143792167
Molecular FormulaC8H22O
Molecular Weight134.26 g/mol
Exact Mass134.17
IUPAC Nameethane;1-ethoxybutane;molecular hydrogen
SMILESCC.CCCCOCC.[H][H]
InChIInChI=1S/C6H14O.C2H6.H2/c1-3-5-6-7-4-2;1-2;/h3-6H2,1-2H3;1-2H3;1H
InChIKeyCPELJEVMFVAGLL-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethoxybutane
CID 143206406
ethane-1,2-diol;1-ethoxybutane
CID 23504299
1-(3-ethoxypropylperoxy)butane
CID 154387522
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
ethane;1-(2-propoxyethoxy)butane
CID 164535746
ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 142368872
1-butoxybutane;methoxymethane
CID 18401298
aluminum;1-butoxybutane;hydride
CID 174684135
butoxymethanol;ethane
CID 145241108
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
azane;1-propoxybutane
CID 87292575

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxybutane;molecular hydrogen?
The IUPAC name of ethane;1-ethoxybutane;molecular hydrogen (CID 143792167) is ethane;1-ethoxybutane;molecular hydrogen.
What is the SMILES notation for ethane;1-ethoxybutane;molecular hydrogen?
The canonical SMILES for ethane;1-ethoxybutane;molecular hydrogen is CC.CCCCOCC.[H][H].
What is the InChIKey of ethane;1-ethoxybutane;molecular hydrogen?
The InChIKey is CPELJEVMFVAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H6.H2/c1-3-5-6-7-4-2;1-2;/h3-6H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;1-ethoxybutane;molecular hydrogen?
ethane;1-ethoxybutane;molecular hydrogen has a molecular weight of 134.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxybutane;molecular hydrogen is sourced from PubChem (CID 143792167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).