7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene

C11H16O2 — CID 22140479

IUPAC7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene
SMILESCOCC1(COC)C=CC=CC=C1
InChIInChI=1S/C11H16O2/c1-12-9-11(10-13-2)7-5-3-4-6-8-11/h3-8H,9-10H2,1-2H3
InChIKeyZVZZZVGNDBKCQC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds4

About 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene

7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene (PubChem CID 22140479) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene
PubChem CID22140479
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene
SMILESCOCC1(COC)C=CC=CC=C1
InChIInChI=1S/C11H16O2/c1-12-9-11(10-13-2)7-5-3-4-6-8-11/h3-8H,9-10H2,1-2H3
InChIKeyZVZZZVGNDBKCQC-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene (CID 22140479) is 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene is COCC1(COC)C=CC=CC=C1.
What is the InChIKey of 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene?
The InChIKey is ZVZZZVGNDBKCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-12-9-11(10-13-2)7-5-3-4-6-8-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene?
7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene has a molecular weight of 180.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(methoxymethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 22140479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).