1-ethoxy-1-methylcycloheptane

C10H20O — CID 54383196

IUPAC1-ethoxy-1-methylcycloheptane
SMILESCCOC1(C)CCCCCC1
InChIInChI=1S/C10H20O/c1-3-11-10(2)8-6-4-5-7-9-10/h3-9H2,1-2H3
InChIKeyVBJRQCKBOIFFFO-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds2

About 1-ethoxy-1-methylcycloheptane

1-ethoxy-1-methylcycloheptane (PubChem CID 54383196) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethoxy-1-methylcycloheptane.

Molecular Properties

Compound Name1-ethoxy-1-methylcycloheptane
PubChem CID54383196
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-ethoxy-1-methylcycloheptane
SMILESCCOC1(C)CCCCCC1
InChIInChI=1S/C10H20O/c1-3-11-10(2)8-6-4-5-7-9-10/h3-9H2,1-2H3
InChIKeyVBJRQCKBOIFFFO-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methylcycloheptane?
The IUPAC name of 1-ethoxy-1-methylcycloheptane (CID 54383196) is 1-ethoxy-1-methylcycloheptane.
What is the SMILES notation for 1-ethoxy-1-methylcycloheptane?
The canonical SMILES for 1-ethoxy-1-methylcycloheptane is CCOC1(C)CCCCCC1.
What is the InChIKey of 1-ethoxy-1-methylcycloheptane?
The InChIKey is VBJRQCKBOIFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-11-10(2)8-6-4-5-7-9-10/h3-9H2,1-2H3.
What are the key properties of 1-ethoxy-1-methylcycloheptane?
1-ethoxy-1-methylcycloheptane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methylcycloheptane is sourced from PubChem (CID 54383196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).