2,5-dimethoxycyclohexa-1,3-diene

C8H12O2 — CID 13404344

IUPAC2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CCC(OC)C=C1
InChIInChI=1S/C8H12O2/c1-9-7-3-5-8(10-2)6-4-7/h3-5,8H,6H2,1-2H3
InChIKeyYYZNONMEYBVCCR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds2

About 2,5-dimethoxycyclohexa-1,3-diene

2,5-dimethoxycyclohexa-1,3-diene (PubChem CID 13404344) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dimethoxycyclohexa-1,3-diene
PubChem CID13404344
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CCC(OC)C=C1
InChIInChI=1S/C8H12O2/c1-9-7-3-5-8(10-2)6-4-7/h3-5,8H,6H2,1-2H3
InChIKeyYYZNONMEYBVCCR-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 2,5-dimethoxycyclohexa-1,3-diene (CID 13404344) is 2,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 2,5-dimethoxycyclohexa-1,3-diene is COC1=CCC(OC)C=C1.
What is the InChIKey of 2,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is YYZNONMEYBVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-9-7-3-5-8(10-2)6-4-7/h3-5,8H,6H2,1-2H3.
What are the key properties of 2,5-dimethoxycyclohexa-1,3-diene?
2,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 140.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 13404344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).