1-ethoxy-2-methylpropane

C6H13O+ — CID 162418798

IUPAC1-ethoxy-2-methylpropane
SMILESC[CH+]OCC(C)C
InChIInChI=1S/C6H13O/c1-4-7-5-6(2)3/h4,6H,5H2,1-3H3/q+1
InChIKeyKIRPVNLNGMDZBV-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.84
Rot. Bonds3

About 1-ethoxy-2-methylpropane

1-ethoxy-2-methylpropane (PubChem CID 162418798) has the molecular formula C6H13O+ and a molecular weight of 101.17 g/mol. Its IUPAC name is 1-ethoxy-2-methylpropane.

Molecular Properties

Compound Name1-ethoxy-2-methylpropane
PubChem CID162418798
Molecular FormulaC6H13O+
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name1-ethoxy-2-methylpropane
SMILESC[CH+]OCC(C)C
InChIInChI=1S/C6H13O/c1-4-7-5-6(2)3/h4,6H,5H2,1-3H3/q+1
InChIKeyKIRPVNLNGMDZBV-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylpropane?
The IUPAC name of 1-ethoxy-2-methylpropane (CID 162418798) is 1-ethoxy-2-methylpropane.
What is the SMILES notation for 1-ethoxy-2-methylpropane?
The canonical SMILES for 1-ethoxy-2-methylpropane is C[CH+]OCC(C)C.
What is the InChIKey of 1-ethoxy-2-methylpropane?
The InChIKey is KIRPVNLNGMDZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-4-7-5-6(2)3/h4,6H,5H2,1-3H3/q+1.
What are the key properties of 1-ethoxy-2-methylpropane?
1-ethoxy-2-methylpropane has a molecular weight of 101.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylpropane is sourced from PubChem (CID 162418798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).