1,4-dimethoxycyclohexa-1,4-diene

C8H12O2 — CID 10855540

IUPAC1,4-dimethoxycyclohexa-1,4-diene
SMILESCOC1=CCC(OC)=CC1
InChIInChI=1S/C8H12O2/c1-9-7-3-5-8(10-2)6-4-7/h3,6H,4-5H2,1-2H3
InChIKeyQICPWYBPWNAGFO-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.84
Rot. Bonds2

About 1,4-dimethoxycyclohexa-1,4-diene

1,4-dimethoxycyclohexa-1,4-diene (PubChem CID 10855540) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,4-dimethoxycyclohexa-1,4-diene.

Molecular Properties

Compound Name1,4-dimethoxycyclohexa-1,4-diene
PubChem CID10855540
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1,4-dimethoxycyclohexa-1,4-diene
SMILESCOC1=CCC(OC)=CC1
InChIInChI=1S/C8H12O2/c1-9-7-3-5-8(10-2)6-4-7/h3,6H,4-5H2,1-2H3
InChIKeyQICPWYBPWNAGFO-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxycyclohexa-1,4-diene?
The IUPAC name of 1,4-dimethoxycyclohexa-1,4-diene (CID 10855540) is 1,4-dimethoxycyclohexa-1,4-diene.
What is the SMILES notation for 1,4-dimethoxycyclohexa-1,4-diene?
The canonical SMILES for 1,4-dimethoxycyclohexa-1,4-diene is COC1=CCC(OC)=CC1.
What is the InChIKey of 1,4-dimethoxycyclohexa-1,4-diene?
The InChIKey is QICPWYBPWNAGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-9-7-3-5-8(10-2)6-4-7/h3,6H,4-5H2,1-2H3.
What are the key properties of 1,4-dimethoxycyclohexa-1,4-diene?
1,4-dimethoxycyclohexa-1,4-diene has a molecular weight of 140.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxycyclohexa-1,4-diene is sourced from PubChem (CID 10855540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).