3,3,6,6-tetramethoxycyclohexa-1,4-diene

C10H16O4 — CID 598069

IUPAC3,3,6,6-tetramethoxycyclohexa-1,4-diene
SMILESCOC1(OC)C=CC(OC)(OC)C=C1
InChIInChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
InChIKeyLJAWVXAZDYVFNU-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds4

About 3,3,6,6-tetramethoxycyclohexa-1,4-diene

3,3,6,6-tetramethoxycyclohexa-1,4-diene (PubChem CID 598069) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3,3,6,6-tetramethoxycyclohexa-1,4-diene.

Molecular Properties

Compound Name3,3,6,6-tetramethoxycyclohexa-1,4-diene
PubChem CID598069
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3,3,6,6-tetramethoxycyclohexa-1,4-diene
SMILESCOC1(OC)C=CC(OC)(OC)C=C1
InChIInChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
InChIKeyLJAWVXAZDYVFNU-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Furan, 2,5-dihydro-2,5-dimethoxy-2,5-dimethyl-
CID 86653
Mesityl oxide dimethyl ketal
CID 15596209
1,3,3,6,6-Pentamethoxycyclohexa-1,4-diene
CID 10263238
1-Chloro-3,3,6,6-tetramethoxycyclohexa-1,4-diene
CID 70577029
1-Fluoro-6,6-dimethoxycyclohexa-1,4-diene
CID 18324285
3,3-Dimethoxy-6,6-dimethyl-cyclohexa-1,4-diene
CID 586332
1,4-Cyclohexadiene, 3,3,6,6-tetramethoxy-1-methyl-
CID 10353189
1,4-Cyclohexadiene, 1-bromo-3,3,6,6-tetramethoxy-
CID 10378856
Trimethyl-(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)silane
CID 12488280
3-Ethoxy-3-methoxycyclohexa-1,4-dien
CID 129651474
1,1,4,4-Trimethoxycyclohexa-2,5-dien
CID 129760296
Lithium 1,4,4-trimethoxycyclohexa-2,5-dien-1-ol
CID 134858632

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethoxycyclohexa-1,4-diene?
The IUPAC name of 3,3,6,6-tetramethoxycyclohexa-1,4-diene (CID 598069) is 3,3,6,6-tetramethoxycyclohexa-1,4-diene.
What is the SMILES notation for 3,3,6,6-tetramethoxycyclohexa-1,4-diene?
The canonical SMILES for 3,3,6,6-tetramethoxycyclohexa-1,4-diene is COC1(OC)C=CC(OC)(OC)C=C1.
What is the InChIKey of 3,3,6,6-tetramethoxycyclohexa-1,4-diene?
The InChIKey is LJAWVXAZDYVFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3.
What are the key properties of 3,3,6,6-tetramethoxycyclohexa-1,4-diene?
3,3,6,6-tetramethoxycyclohexa-1,4-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 3,3,6,6-tetramethoxycyclohexa-1,4-diene is sourced from PubChem (CID 598069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).