2,6-bis(methoxymethyl)cyclohexa-1,3-diene

C10H16O2 — CID 126516910

IUPAC2,6-bis(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CC(COC)CC=C1
InChIInChI=1S/C10H16O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyCZEHPGGIFQRKEY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds4

About 2,6-bis(methoxymethyl)cyclohexa-1,3-diene

2,6-bis(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 126516910) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,6-bis(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-bis(methoxymethyl)cyclohexa-1,3-diene
PubChem CID126516910
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,6-bis(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CC(COC)CC=C1
InChIInChI=1S/C10H16O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyCZEHPGGIFQRKEY-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,6-bis(methoxymethyl)cyclohexa-1,3-diene (CID 126516910) is 2,6-bis(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,6-bis(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,6-bis(methoxymethyl)cyclohexa-1,3-diene is COCC1=CC(COC)CC=C1.
What is the InChIKey of 2,6-bis(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is CZEHPGGIFQRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of 2,6-bis(methoxymethyl)cyclohexa-1,3-diene?
2,6-bis(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 168.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 126516910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).