methoxycyclooctatetraene

C9H10O — CID 12762594

IUPACmethoxycyclooctatetraene
SMILESCOC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C9H10O/c1-10-9-7-5-3-2-4-6-8-9/h2-8H,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7+,9-8+
InChIKeyYFWWZNBRXHMZOC-HAVGISGISA-N
MW134.18 g/mol
LogP2.20
Rot. Bonds1

About methoxycyclooctatetraene

methoxycyclooctatetraene (PubChem CID 12762594) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is methoxycyclooctatetraene.

Molecular Properties

Compound Namemethoxycyclooctatetraene
PubChem CID12762594
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Namemethoxycyclooctatetraene
SMILESCOC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C9H10O/c1-10-9-7-5-3-2-4-6-8-9/h2-8H,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7+,9-8+
InChIKeyYFWWZNBRXHMZOC-HAVGISGISA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxycyclooctatetraene?
The IUPAC name of methoxycyclooctatetraene (CID 12762594) is methoxycyclooctatetraene.
What is the SMILES notation for methoxycyclooctatetraene?
The canonical SMILES for methoxycyclooctatetraene is COC1=C/C=C\C=C/C=C\1.
What is the InChIKey of methoxycyclooctatetraene?
The InChIKey is YFWWZNBRXHMZOC-HAVGISGISA-N. The full InChI is InChI=1S/C9H10O/c1-10-9-7-5-3-2-4-6-8-9/h2-8H,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7+,9-8+.
What are the key properties of methoxycyclooctatetraene?
methoxycyclooctatetraene has a molecular weight of 134.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclooctatetraene is sourced from PubChem (CID 12762594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).