3-(methoxymethyl)-4-methylidenecyclopentene

C8H12O — CID 10909566

IUPAC3-(methoxymethyl)-4-methylidenecyclopentene
SMILESC=C1CC=CC1COC
InChIInChI=1S/C8H12O/c1-7-4-3-5-8(7)6-9-2/h3,5,8H,1,4,6H2,2H3
InChIKeyKISIMHAMTWZEGV-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.77
Rot. Bonds2

About 3-(methoxymethyl)-4-methylidenecyclopentene

3-(methoxymethyl)-4-methylidenecyclopentene (PubChem CID 10909566) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-methylidenecyclopentene.

Molecular Properties

Compound Name3-(methoxymethyl)-4-methylidenecyclopentene
PubChem CID10909566
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-(methoxymethyl)-4-methylidenecyclopentene
SMILESC=C1CC=CC1COC
InChIInChI=1S/C8H12O/c1-7-4-3-5-8(7)6-9-2/h3,5,8H,1,4,6H2,2H3
InChIKeyKISIMHAMTWZEGV-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.77
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)-4-methylidenecyclopentene?
The IUPAC name of 3-(methoxymethyl)-4-methylidenecyclopentene (CID 10909566) is 3-(methoxymethyl)-4-methylidenecyclopentene.
What is the SMILES notation for 3-(methoxymethyl)-4-methylidenecyclopentene?
The canonical SMILES for 3-(methoxymethyl)-4-methylidenecyclopentene is C=C1CC=CC1COC.
What is the InChIKey of 3-(methoxymethyl)-4-methylidenecyclopentene?
The InChIKey is KISIMHAMTWZEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-4-3-5-8(7)6-9-2/h3,5,8H,1,4,6H2,2H3.
What are the key properties of 3-(methoxymethyl)-4-methylidenecyclopentene?
3-(methoxymethyl)-4-methylidenecyclopentene has a molecular weight of 124.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-methylidenecyclopentene is sourced from PubChem (CID 10909566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).