3-(methoxymethyl)-5-methylcyclopentene

C8H14O — CID 77397590

IUPAC3-(methoxymethyl)-5-methylcyclopentene
SMILESCOCC1C=CC(C)C1
InChIInChI=1S/C8H14O/c1-7-3-4-8(5-7)6-9-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVTMJGFZHVKBOFF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.85
Rot. Bonds2

About 3-(methoxymethyl)-5-methylcyclopentene

3-(methoxymethyl)-5-methylcyclopentene (PubChem CID 77397590) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methylcyclopentene.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methylcyclopentene
PubChem CID77397590
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-(methoxymethyl)-5-methylcyclopentene
SMILESCOCC1C=CC(C)C1
InChIInChI=1S/C8H14O/c1-7-3-4-8(5-7)6-9-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVTMJGFZHVKBOFF-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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 3-(methoxymethyl)-5-methylcyclopentene?
The IUPAC name of 3-(methoxymethyl)-5-methylcyclopentene (CID 77397590) is 3-(methoxymethyl)-5-methylcyclopentene.
What is the SMILES notation for 3-(methoxymethyl)-5-methylcyclopentene?
The canonical SMILES for 3-(methoxymethyl)-5-methylcyclopentene is COCC1C=CC(C)C1.
What is the InChIKey of 3-(methoxymethyl)-5-methylcyclopentene?
The InChIKey is VTMJGFZHVKBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-3-4-8(5-7)6-9-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-methylcyclopentene?
3-(methoxymethyl)-5-methylcyclopentene has a molecular weight of 126.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methylcyclopentene is sourced from PubChem (CID 77397590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).