1-ethoxy-3-methylcyclohexene

C9H16O — CID 70372283

IUPAC1-ethoxy-3-methylcyclohexene
SMILESCCOC1=CC(C)CCC1
InChIInChI=1S/C9H16O/c1-3-10-9-6-4-5-8(2)7-9/h7-8H,3-6H2,1-2H3
InChIKeyYVVDYBPXUWCBFK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About 1-ethoxy-3-methylcyclohexene

1-ethoxy-3-methylcyclohexene (PubChem CID 70372283) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethoxy-3-methylcyclohexene.

Molecular Properties

Compound Name1-ethoxy-3-methylcyclohexene
PubChem CID70372283
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-ethoxy-3-methylcyclohexene
SMILESCCOC1=CC(C)CCC1
InChIInChI=1S/C9H16O/c1-3-10-9-6-4-5-8(2)7-9/h7-8H,3-6H2,1-2H3
InChIKeyYVVDYBPXUWCBFK-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylcyclohexene?
The IUPAC name of 1-ethoxy-3-methylcyclohexene (CID 70372283) is 1-ethoxy-3-methylcyclohexene.
What is the SMILES notation for 1-ethoxy-3-methylcyclohexene?
The canonical SMILES for 1-ethoxy-3-methylcyclohexene is CCOC1=CC(C)CCC1.
What is the InChIKey of 1-ethoxy-3-methylcyclohexene?
The InChIKey is YVVDYBPXUWCBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-10-9-6-4-5-8(2)7-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethoxy-3-methylcyclohexene?
1-ethoxy-3-methylcyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylcyclohexene is sourced from PubChem (CID 70372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).