5-(methoxymethyl)-5-methylcyclohexa-1,3-diene

C9H14O — CID 141294373

IUPAC5-(methoxymethyl)-5-methylcyclohexa-1,3-diene
SMILESCOCC1(C)C=CC=CC1
InChIInChI=1S/C9H14O/c1-9(8-10-2)6-4-3-5-7-9/h3-6H,7-8H2,1-2H3
InChIKeyUYVJVSHHLXAAGA-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds2

About 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene

5-(methoxymethyl)-5-methylcyclohexa-1,3-diene (PubChem CID 141294373) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(methoxymethyl)-5-methylcyclohexa-1,3-diene
PubChem CID141294373
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-(methoxymethyl)-5-methylcyclohexa-1,3-diene
SMILESCOCC1(C)C=CC=CC1
InChIInChI=1S/C9H14O/c1-9(8-10-2)6-4-3-5-7-9/h3-6H,7-8H2,1-2H3
InChIKeyUYVJVSHHLXAAGA-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene (CID 141294373) is 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene is COCC1(C)C=CC=CC1.
What is the InChIKey of 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is UYVJVSHHLXAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(8-10-2)6-4-3-5-7-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene?
5-(methoxymethyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 141294373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).