5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene

C9H10O — CID 89351881

IUPAC5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene
SMILESCOC1=CC=C=C(C)C=C1
InChIInChI=1S/C9H10O/c1-8-4-3-5-9(10-2)7-6-8/h3,5-7H,1-2H3
InChIKeyGMKMZLNODPAGMO-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.19
Rot. Bonds1

About 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene

5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene (PubChem CID 89351881) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene
PubChem CID89351881
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene
SMILESCOC1=CC=C=C(C)C=C1
InChIInChI=1S/C9H10O/c1-8-4-3-5-9(10-2)7-6-8/h3,5-7H,1-2H3
InChIKeyGMKMZLNODPAGMO-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene (CID 89351881) is 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene is COC1=CC=C=C(C)C=C1.
What is the InChIKey of 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene?
The InChIKey is GMKMZLNODPAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-8-4-3-5-9(10-2)7-6-8/h3,5-7H,1-2H3.
What are the key properties of 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene?
5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene has a molecular weight of 134.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 89351881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).