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

C10H16O3 — CID 89169931

IUPAC1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene
SMILESCOC1=CC(C)=CC(OC)C1OC
InChIInChI=1S/C10H16O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6,8,10H,1-4H3
InChIKeyBRELZELLORCNHH-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds3

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

1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene (PubChem CID 89169931) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene
PubChem CID89169931
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene
SMILESCOC1=CC(C)=CC(OC)C1OC
InChIInChI=1S/C10H16O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6,8,10H,1-4H3
InChIKeyBRELZELLORCNHH-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

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene?
The IUPAC name of 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene (CID 89169931) is 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene is COC1=CC(C)=CC(OC)C1OC.
What is the InChIKey of 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene?
The InChIKey is BRELZELLORCNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6,8,10H,1-4H3.
What are the key properties of 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene?
1,5,6-trimethoxy-3-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 1,5,6-trimethoxy-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 89169931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).