2-butan-2-yloxybutane;ethanol

C10H24O2 — CID 88614162

IUPAC2-butan-2-yloxybutane;ethanol
SMILESCCC(C)OC(C)CC.CCO
InChIInChI=1S/C8H18O.C2H6O/c1-5-7(3)9-8(4)6-2;1-2-3/h7-8H,5-6H2,1-4H3;3H,2H2,1H3
InChIKeyNXSKLNZEPCUNLT-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.60
Rot. Bonds4

About 2-butan-2-yloxybutane;ethanol

2-butan-2-yloxybutane;ethanol (PubChem CID 88614162) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-butan-2-yloxybutane;ethanol.

Molecular Properties

Compound Name2-butan-2-yloxybutane;ethanol
PubChem CID88614162
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Name2-butan-2-yloxybutane;ethanol
SMILESCCC(C)OC(C)CC.CCO
InChIInChI=1S/C8H18O.C2H6O/c1-5-7(3)9-8(4)6-2;1-2-3/h7-8H,5-6H2,1-4H3;3H,2H2,1H3
InChIKeyNXSKLNZEPCUNLT-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxybutane;ethanol?
The IUPAC name of 2-butan-2-yloxybutane;ethanol (CID 88614162) is 2-butan-2-yloxybutane;ethanol.
What is the SMILES notation for 2-butan-2-yloxybutane;ethanol?
The canonical SMILES for 2-butan-2-yloxybutane;ethanol is CCC(C)OC(C)CC.CCO.
What is the InChIKey of 2-butan-2-yloxybutane;ethanol?
The InChIKey is NXSKLNZEPCUNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H6O/c1-5-7(3)9-8(4)6-2;1-2-3/h7-8H,5-6H2,1-4H3;3H,2H2,1H3.
What are the key properties of 2-butan-2-yloxybutane;ethanol?
2-butan-2-yloxybutane;ethanol has a molecular weight of 176.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxybutane;ethanol is sourced from PubChem (CID 88614162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).