3,5-dimethoxy-1-methylcyclohexa-1,3-diene

C9H14O2 — CID 70640540

IUPAC3,5-dimethoxy-1-methylcyclohexa-1,3-diene
SMILESCOC1=CC(OC)CC(C)=C1
InChIInChI=1S/C9H14O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4,6,9H,5H2,1-3H3
InChIKeyTXFQTYMXDMMDMT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds2

About 3,5-dimethoxy-1-methylcyclohexa-1,3-diene

3,5-dimethoxy-1-methylcyclohexa-1,3-diene (PubChem CID 70640540) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3,5-dimethoxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3,5-dimethoxy-1-methylcyclohexa-1,3-diene
PubChem CID70640540
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3,5-dimethoxy-1-methylcyclohexa-1,3-diene
SMILESCOC1=CC(OC)CC(C)=C1
InChIInChI=1S/C9H14O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4,6,9H,5H2,1-3H3
InChIKeyTXFQTYMXDMMDMT-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of 3,5-dimethoxy-1-methylcyclohexa-1,3-diene (CID 70640540) is 3,5-dimethoxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3,5-dimethoxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 3,5-dimethoxy-1-methylcyclohexa-1,3-diene is COC1=CC(OC)CC(C)=C1.
What is the InChIKey of 3,5-dimethoxy-1-methylcyclohexa-1,3-diene?
The InChIKey is TXFQTYMXDMMDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4,6,9H,5H2,1-3H3.
What are the key properties of 3,5-dimethoxy-1-methylcyclohexa-1,3-diene?
3,5-dimethoxy-1-methylcyclohexa-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70640540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).