2-ethoxy-2-methylpropane;2-methylprop-1-ene

C10H22O — CID 88752558

IUPAC2-ethoxy-2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.CCOC(C)(C)C
InChIInChI=1S/C6H14O.C4H8/c1-5-7-6(2,3)4;1-4(2)3/h5H2,1-4H3;1H2,2-3H3
InChIKeyAWWGKQRXKUSROI-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.40
Rot. Bonds1

About 2-ethoxy-2-methylpropane;2-methylprop-1-ene

2-ethoxy-2-methylpropane;2-methylprop-1-ene (PubChem CID 88752558) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-ethoxy-2-methylpropane;2-methylprop-1-ene.

Molecular Properties

Compound Name2-ethoxy-2-methylpropane;2-methylprop-1-ene
PubChem CID88752558
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-ethoxy-2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.CCOC(C)(C)C
InChIInChI=1S/C6H14O.C4H8/c1-5-7-6(2,3)4;1-4(2)3/h5H2,1-4H3;1H2,2-3H3
InChIKeyAWWGKQRXKUSROI-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylpropane;2-methylprop-1-ene?
The IUPAC name of 2-ethoxy-2-methylpropane;2-methylprop-1-ene (CID 88752558) is 2-ethoxy-2-methylpropane;2-methylprop-1-ene.
What is the SMILES notation for 2-ethoxy-2-methylpropane;2-methylprop-1-ene?
The canonical SMILES for 2-ethoxy-2-methylpropane;2-methylprop-1-ene is C=C(C)C.CCOC(C)(C)C.
What is the InChIKey of 2-ethoxy-2-methylpropane;2-methylprop-1-ene?
The InChIKey is AWWGKQRXKUSROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H8/c1-5-7-6(2,3)4;1-4(2)3/h5H2,1-4H3;1H2,2-3H3.
What are the key properties of 2-ethoxy-2-methylpropane;2-methylprop-1-ene?
2-ethoxy-2-methylpropane;2-methylprop-1-ene has a molecular weight of 158.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylpropane;2-methylprop-1-ene is sourced from PubChem (CID 88752558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).