5-(methoxymethyl)cyclohexa-2,4-dien-1-one

C8H10O2 — CID 173366831

IUPAC5-(methoxymethyl)cyclohexa-2,4-dien-1-one
SMILESCOCC1=CC=CC(=O)C1
InChIInChI=1S/C8H10O2/c1-10-6-7-3-2-4-8(9)5-7/h2-4H,5-6H2,1H3
InChIKeyGUYPTJWQKHHJMI-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.09
Rot. Bonds2

About 5-(methoxymethyl)cyclohexa-2,4-dien-1-one

5-(methoxymethyl)cyclohexa-2,4-dien-1-one (PubChem CID 173366831) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(methoxymethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-(methoxymethyl)cyclohexa-2,4-dien-1-one
PubChem CID173366831
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-(methoxymethyl)cyclohexa-2,4-dien-1-one
SMILESCOCC1=CC=CC(=O)C1
InChIInChI=1S/C8H10O2/c1-10-6-7-3-2-4-8(9)5-7/h2-4H,5-6H2,1H3
InChIKeyGUYPTJWQKHHJMI-UHFFFAOYSA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 5-(methoxymethyl)cyclohexa-2,4-dien-1-one (CID 173366831) is 5-(methoxymethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-(methoxymethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-(methoxymethyl)cyclohexa-2,4-dien-1-one is COCC1=CC=CC(=O)C1.
What is the InChIKey of 5-(methoxymethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is GUYPTJWQKHHJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-6-7-3-2-4-8(9)5-7/h2-4H,5-6H2,1H3.
What are the key properties of 5-(methoxymethyl)cyclohexa-2,4-dien-1-one?
5-(methoxymethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 173366831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).