7-(methoxymethylidene)cyclohepta-1,3,5-triene

C9H10O — CID 639399

IUPAC7-(methoxymethylidene)cyclohepta-1,3,5-triene
SMILESCOC=C1C=CC=CC=C1
InChIInChI=1S/C9H10O/c1-10-8-9-6-4-2-3-5-7-9/h2-8H,1H3
InChIKeyWYUXWMKOLGWMKU-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.20
Rot. Bonds1

About 7-(methoxymethylidene)cyclohepta-1,3,5-triene

7-(methoxymethylidene)cyclohepta-1,3,5-triene (PubChem CID 639399) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 7-(methoxymethylidene)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-(methoxymethylidene)cyclohepta-1,3,5-triene
PubChem CID639399
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name7-(methoxymethylidene)cyclohepta-1,3,5-triene
SMILESCOC=C1C=CC=CC=C1
InChIInChI=1S/C9H10O/c1-10-8-9-6-4-2-3-5-7-9/h2-8H,1H3
InChIKeyWYUXWMKOLGWMKU-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethylidene)cyclohepta-1,3,5-triene?
The IUPAC name of 7-(methoxymethylidene)cyclohepta-1,3,5-triene (CID 639399) is 7-(methoxymethylidene)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-(methoxymethylidene)cyclohepta-1,3,5-triene?
The canonical SMILES for 7-(methoxymethylidene)cyclohepta-1,3,5-triene is COC=C1C=CC=CC=C1.
What is the InChIKey of 7-(methoxymethylidene)cyclohepta-1,3,5-triene?
The InChIKey is WYUXWMKOLGWMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-10-8-9-6-4-2-3-5-7-9/h2-8H,1H3.
What are the key properties of 7-(methoxymethylidene)cyclohepta-1,3,5-triene?
7-(methoxymethylidene)cyclohepta-1,3,5-triene 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 7-(methoxymethylidene)cyclohepta-1,3,5-triene is sourced from PubChem (CID 639399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).