1-methoxycyclohepta-1,2,4,6-tetraene

C8H8O — CID 89001896

IUPAC1-methoxycyclohepta-1,2,4,6-tetraene
SMILESCOC1=C=CC=CC=C1
InChIInChI=1S/C8H8O/c1-9-8-6-4-2-3-5-7-8/h2-6H,1H3
InChIKeyNHABORPGDJQLBK-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.80
Rot. Bonds1

About 1-methoxycyclohepta-1,2,4,6-tetraene

1-methoxycyclohepta-1,2,4,6-tetraene (PubChem CID 89001896) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-methoxycyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name1-methoxycyclohepta-1,2,4,6-tetraene
PubChem CID89001896
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name1-methoxycyclohepta-1,2,4,6-tetraene
SMILESCOC1=C=CC=CC=C1
InChIInChI=1S/C8H8O/c1-9-8-6-4-2-3-5-7-8/h2-6H,1H3
InChIKeyNHABORPGDJQLBK-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclohepta-1,2,4,6-tetraene?
The IUPAC name of 1-methoxycyclohepta-1,2,4,6-tetraene (CID 89001896) is 1-methoxycyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 1-methoxycyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 1-methoxycyclohepta-1,2,4,6-tetraene is COC1=C=CC=CC=C1.
What is the InChIKey of 1-methoxycyclohepta-1,2,4,6-tetraene?
The InChIKey is NHABORPGDJQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-9-8-6-4-2-3-5-7-8/h2-6H,1H3.
What are the key properties of 1-methoxycyclohepta-1,2,4,6-tetraene?
1-methoxycyclohepta-1,2,4,6-tetraene has a molecular weight of 120.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 89001896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).