1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene

C11H18O2 — CID 15532466

IUPAC1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene
SMILESCOCC1=C(COC)CC(C)=CC1
InChIInChI=1S/C11H18O2/c1-9-4-5-10(7-12-2)11(6-9)8-13-3/h4H,5-8H2,1-3H3
InChIKeyBUQMNKGIROWQMX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.32
Rot. Bonds4

About 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene

1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene (PubChem CID 15532466) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene
PubChem CID15532466
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene
SMILESCOCC1=C(COC)CC(C)=CC1
InChIInChI=1S/C11H18O2/c1-9-4-5-10(7-12-2)11(6-9)8-13-3/h4H,5-8H2,1-3H3
InChIKeyBUQMNKGIROWQMX-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene?
The IUPAC name of 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene (CID 15532466) is 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene.
What is the SMILES notation for 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene?
The canonical SMILES for 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene is COCC1=C(COC)CC(C)=CC1.
What is the InChIKey of 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene?
The InChIKey is BUQMNKGIROWQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-5-10(7-12-2)11(6-9)8-13-3/h4H,5-8H2,1-3H3.
What are the key properties of 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene?
1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene has a molecular weight of 182.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methoxymethyl)-4-methylcyclohexa-1,4-diene is sourced from PubChem (CID 15532466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).