1,2,3,3-tetramethoxycyclohexa-1,4-diene

C10H16O4 — CID 23073742

IUPAC1,2,3,3-tetramethoxycyclohexa-1,4-diene
SMILESCOC1=C(OC)C(OC)(OC)C=CC1
InChIInChI=1S/C10H16O4/c1-11-8-6-5-7-10(13-3,14-4)9(8)12-2/h5,7H,6H2,1-4H3
InChIKeyZVCBWTIXYPDDOY-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds4

About 1,2,3,3-tetramethoxycyclohexa-1,4-diene

1,2,3,3-tetramethoxycyclohexa-1,4-diene (PubChem CID 23073742) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,2,3,3-tetramethoxycyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,3,3-tetramethoxycyclohexa-1,4-diene
PubChem CID23073742
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,2,3,3-tetramethoxycyclohexa-1,4-diene
SMILESCOC1=C(OC)C(OC)(OC)C=CC1
InChIInChI=1S/C10H16O4/c1-11-8-6-5-7-10(13-3,14-4)9(8)12-2/h5,7H,6H2,1-4H3
InChIKeyZVCBWTIXYPDDOY-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethoxycyclohexa-1,4-diene?
The IUPAC name of 1,2,3,3-tetramethoxycyclohexa-1,4-diene (CID 23073742) is 1,2,3,3-tetramethoxycyclohexa-1,4-diene.
What is the SMILES notation for 1,2,3,3-tetramethoxycyclohexa-1,4-diene?
The canonical SMILES for 1,2,3,3-tetramethoxycyclohexa-1,4-diene is COC1=C(OC)C(OC)(OC)C=CC1.
What is the InChIKey of 1,2,3,3-tetramethoxycyclohexa-1,4-diene?
The InChIKey is ZVCBWTIXYPDDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-11-8-6-5-7-10(13-3,14-4)9(8)12-2/h5,7H,6H2,1-4H3.
What are the key properties of 1,2,3,3-tetramethoxycyclohexa-1,4-diene?
1,2,3,3-tetramethoxycyclohexa-1,4-diene has a molecular weight of 200.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethoxycyclohexa-1,4-diene is sourced from PubChem (CID 23073742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).