2,5,5,6-tetramethoxycyclohexa-1,3-diene

C10H16O4 — CID 70548064

IUPAC2,5,5,6-tetramethoxycyclohexa-1,3-diene
SMILESCOC1=CC(OC)C(OC)(OC)C=C1
InChIInChI=1S/C10H16O4/c1-11-8-5-6-10(13-3,14-4)9(7-8)12-2/h5-7,9H,1-4H3
InChIKeyZANBVPALDRQZGT-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds4

About 2,5,5,6-tetramethoxycyclohexa-1,3-diene

2,5,5,6-tetramethoxycyclohexa-1,3-diene (PubChem CID 70548064) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,5,5,6-tetramethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5,5,6-tetramethoxycyclohexa-1,3-diene
PubChem CID70548064
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,5,5,6-tetramethoxycyclohexa-1,3-diene
SMILESCOC1=CC(OC)C(OC)(OC)C=C1
InChIInChI=1S/C10H16O4/c1-11-8-5-6-10(13-3,14-4)9(7-8)12-2/h5-7,9H,1-4H3
InChIKeyZANBVPALDRQZGT-UHFFFAOYSA-N
XLogP1.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,5,5,6-tetramethoxycyclohexa-1,3-diene?
The IUPAC name of 2,5,5,6-tetramethoxycyclohexa-1,3-diene (CID 70548064) is 2,5,5,6-tetramethoxycyclohexa-1,3-diene.
What is the SMILES notation for 2,5,5,6-tetramethoxycyclohexa-1,3-diene?
The canonical SMILES for 2,5,5,6-tetramethoxycyclohexa-1,3-diene is COC1=CC(OC)C(OC)(OC)C=C1.
What is the InChIKey of 2,5,5,6-tetramethoxycyclohexa-1,3-diene?
The InChIKey is ZANBVPALDRQZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-11-8-5-6-10(13-3,14-4)9(7-8)12-2/h5-7,9H,1-4H3.
What are the key properties of 2,5,5,6-tetramethoxycyclohexa-1,3-diene?
2,5,5,6-tetramethoxycyclohexa-1,3-diene has a molecular weight of 200.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6-tetramethoxycyclohexa-1,3-diene is sourced from PubChem (CID 70548064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).