1,2,4,5-tetramethoxycyclohexa-1,3-diene

C10H16O4 — CID 149114615

IUPAC1,2,4,5-tetramethoxycyclohexa-1,3-diene
SMILESCOC1=CC(OC)=C(OC)CC1OC
InChIInChI=1S/C10H16O4/c1-11-7-5-9(13-3)10(14-4)6-8(7)12-2/h5,8H,6H2,1-4H3
InChIKeyQYDAKWNQURCDMP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds4

About 1,2,4,5-tetramethoxycyclohexa-1,3-diene

1,2,4,5-tetramethoxycyclohexa-1,3-diene (PubChem CID 149114615) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,2,4,5-tetramethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetramethoxycyclohexa-1,3-diene
PubChem CID149114615
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,2,4,5-tetramethoxycyclohexa-1,3-diene
SMILESCOC1=CC(OC)=C(OC)CC1OC
InChIInChI=1S/C10H16O4/c1-11-7-5-9(13-3)10(14-4)6-8(7)12-2/h5,8H,6H2,1-4H3
InChIKeyQYDAKWNQURCDMP-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

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Related Compounds

2,6-dimethoxy-1,4-dimethylcyclohexa-1,3-diene
CID 91438188
2-chloro-4,5-dimethoxycyclohexa-1,5-diene-1-carbaldehyde
CID 143712862
(4-methylcyclohexa-2,4-dien-1-yl) 2,4,5-trimethoxycyclohexa-1,5-diene-1-carboxylate
CID 143236581
2-(4,5-dimethoxy-2-methylcyclohexa-2,4-dien-1-yl)ethanamine
CID 135214249
4,5-dimethoxy-1-propylcyclohexa-1,3-diene
CID 142112268
2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 89275415
2,4-dimethoxy-2,3-dihydronaphthalene-1-sulfonate
CID 22895824
2,4-dimethoxy-2,3-dihydronaphthalene-1-sulfonic acid
CID 22895825
3-methoxy-4-methylcyclopent-2-en-1-one
CID 574103
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one
CID 141276369
(1S,3S,4S,6S)-1,3,4,6-tetramethoxy-1,2,3,4,5,6-hexahydropentalene
CID 101375364
4-amino-2-fluoro-5-methoxycyclohexa-1,5-diene-1-carbonitrile
CID 135201487

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethoxycyclohexa-1,3-diene?
The IUPAC name of 1,2,4,5-tetramethoxycyclohexa-1,3-diene (CID 149114615) is 1,2,4,5-tetramethoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetramethoxycyclohexa-1,3-diene?
The canonical SMILES for 1,2,4,5-tetramethoxycyclohexa-1,3-diene is COC1=CC(OC)=C(OC)CC1OC.
What is the InChIKey of 1,2,4,5-tetramethoxycyclohexa-1,3-diene?
The InChIKey is QYDAKWNQURCDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-11-7-5-9(13-3)10(14-4)6-8(7)12-2/h5,8H,6H2,1-4H3.
What are the key properties of 1,2,4,5-tetramethoxycyclohexa-1,3-diene?
1,2,4,5-tetramethoxycyclohexa-1,3-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 1,2,4,5-tetramethoxycyclohexa-1,3-diene is sourced from PubChem (CID 149114615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).