1-ethoxy-3-methylcyclopentene

C8H14O — CID 139809458

IUPAC1-ethoxy-3-methylcyclopentene
SMILESCCOC1=CC(C)CC1
InChIInChI=1S/C8H14O/c1-3-9-8-5-4-7(2)6-8/h6-7H,3-5H2,1-2H3
InChIKeyZKLHFOFMNKTURF-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds2

About 1-ethoxy-3-methylcyclopentene

1-ethoxy-3-methylcyclopentene (PubChem CID 139809458) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-ethoxy-3-methylcyclopentene.

Molecular Properties

Compound Name1-ethoxy-3-methylcyclopentene
PubChem CID139809458
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-ethoxy-3-methylcyclopentene
SMILESCCOC1=CC(C)CC1
InChIInChI=1S/C8H14O/c1-3-9-8-5-4-7(2)6-8/h6-7H,3-5H2,1-2H3
InChIKeyZKLHFOFMNKTURF-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylcyclopentene?
The IUPAC name of 1-ethoxy-3-methylcyclopentene (CID 139809458) is 1-ethoxy-3-methylcyclopentene.
What is the SMILES notation for 1-ethoxy-3-methylcyclopentene?
The canonical SMILES for 1-ethoxy-3-methylcyclopentene is CCOC1=CC(C)CC1.
What is the InChIKey of 1-ethoxy-3-methylcyclopentene?
The InChIKey is ZKLHFOFMNKTURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-9-8-5-4-7(2)6-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-3-methylcyclopentene?
1-ethoxy-3-methylcyclopentene has a molecular weight of 126.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylcyclopentene is sourced from PubChem (CID 139809458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).