2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene

C10H14O2 — CID 170731638

IUPAC2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC=CC(C)C=C1OC
InChIInChI=1S/C10H14O2/c1-8-5-4-6-9(11-2)10(7-8)12-3/h4-8H,1-3H3
InChIKeyALVNPMYDPHWCPY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.25
Rot. Bonds2

About 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene

2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene (PubChem CID 170731638) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
PubChem CID170731638
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC=CC(C)C=C1OC
InChIInChI=1S/C10H14O2/c1-8-5-4-6-9(11-2)10(7-8)12-3/h4-8H,1-3H3
InChIKeyALVNPMYDPHWCPY-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene
CID 143333898
ethane;methyl 7-[3-[ethyl(propyl)amino]propoxy]-3-methylcyclohepta-1,4,6-triene-1-carboxylate
CID 142014262
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
CID 143418654
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
CID 171502429
methyl 3-methyl-3H-azepine-7-carboxylate
CID 134384068
2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171277
5-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 143171931
ethane;7-methyl-2-methylsulfanyl-3-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 142148820
(3,4-dichlorophenyl)-(4-methoxy-3-propylcyclohepta-2,4,6-trien-1-yl)methanone
CID 143393315

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene (CID 170731638) is 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene is COC1=CC=CC(C)C=C1OC.
What is the InChIKey of 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene?
The InChIKey is ALVNPMYDPHWCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-5-4-6-9(11-2)10(7-8)12-3/h4-8H,1-3H3.
What are the key properties of 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene?
2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene has a molecular weight of 166.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 170731638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).