methoxymethylcyclooctatetraene

C10H12O — CID 576036

IUPACmethoxymethylcyclooctatetraene
SMILESCOCC1=CC=CC=CC=C1
InChIInChI=1S/C10H12O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-8H,9H2,1H3
InChIKeyTYAROVSCCXAORU-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.24
Rot. Bonds2

About methoxymethylcyclooctatetraene

methoxymethylcyclooctatetraene (PubChem CID 576036) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is methoxymethylcyclooctatetraene.

Molecular Properties

Compound Namemethoxymethylcyclooctatetraene
PubChem CID576036
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Namemethoxymethylcyclooctatetraene
SMILESCOCC1=CC=CC=CC=C1
InChIInChI=1S/C10H12O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-8H,9H2,1H3
InChIKeyTYAROVSCCXAORU-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxymethylcyclooctatetraene?
The IUPAC name of methoxymethylcyclooctatetraene (CID 576036) is methoxymethylcyclooctatetraene.
What is the SMILES notation for methoxymethylcyclooctatetraene?
The canonical SMILES for methoxymethylcyclooctatetraene is COCC1=CC=CC=CC=C1.
What is the InChIKey of methoxymethylcyclooctatetraene?
The InChIKey is TYAROVSCCXAORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-8H,9H2,1H3.
What are the key properties of methoxymethylcyclooctatetraene?
methoxymethylcyclooctatetraene has a molecular weight of 148.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylcyclooctatetraene is sourced from PubChem (CID 576036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).