ethane;1-ethoxybutane

C10H26O — CID 143206406

IUPACethane;1-ethoxybutane
SMILESCC.CC.CCCCOCC
InChIInChI=1S/C6H14O.2C2H6/c1-3-5-6-7-4-2;2*1-2/h3-6H2,1-2H3;2*1-2H3
InChIKeyXFNYLFRTSUJINS-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.88
Rot. Bonds4

About ethane;1-ethoxybutane

ethane;1-ethoxybutane (PubChem CID 143206406) has the molecular formula C10H26O and a molecular weight of 162.32 g/mol. Its IUPAC name is ethane;1-ethoxybutane.

Molecular Properties

Compound Nameethane;1-ethoxybutane
PubChem CID143206406
Molecular FormulaC10H26O
Molecular Weight162.32 g/mol
Exact Mass162.20
IUPAC Nameethane;1-ethoxybutane
SMILESCC.CC.CCCCOCC
InChIInChI=1S/C6H14O.2C2H6/c1-3-5-6-7-4-2;2*1-2/h3-6H2,1-2H3;2*1-2H3
InChIKeyXFNYLFRTSUJINS-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.88
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;molecular hydrogen
CID 143792167
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
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
1-butoxypentane;niobium
CID 175363169
1-butoxybutane;N-methylmethanamine
CID 88830911

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxybutane?
The IUPAC name of ethane;1-ethoxybutane (CID 143206406) is ethane;1-ethoxybutane.
What is the SMILES notation for ethane;1-ethoxybutane?
The canonical SMILES for ethane;1-ethoxybutane is CC.CC.CCCCOCC.
What is the InChIKey of ethane;1-ethoxybutane?
The InChIKey is XFNYLFRTSUJINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2C2H6/c1-3-5-6-7-4-2;2*1-2/h3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethoxybutane?
ethane;1-ethoxybutane has a molecular weight of 162.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxybutane is sourced from PubChem (CID 143206406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).