5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene

C10H16O3 — CID 68659201

IUPAC5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene
SMILESCOC1C=CC=C(C)C1(OC)OC
InChIInChI=1S/C10H16O3/c1-8-6-5-7-9(11-2)10(8,12-3)13-4/h5-7,9H,1-4H3
InChIKeyIYEFYKZZGUCBFF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds3

About 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene

5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene (PubChem CID 68659201) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene
PubChem CID68659201
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene
SMILESCOC1C=CC=C(C)C1(OC)OC
InChIInChI=1S/C10H16O3/c1-8-6-5-7-9(11-2)10(8,12-3)13-4/h5-7,9H,1-4H3
InChIKeyIYEFYKZZGUCBFF-UHFFFAOYSA-N
XLogP1.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene (CID 68659201) is 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene is COC1C=CC=C(C)C1(OC)OC.
What is the InChIKey of 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene?
The InChIKey is IYEFYKZZGUCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-6-5-7-9(11-2)10(8,12-3)13-4/h5-7,9H,1-4H3.
What are the key properties of 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene?
5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene has a molecular weight of 184.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethoxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 68659201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).