1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene

C15H20O3 — CID 68603464

IUPAC1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene
SMILESC=CC1(c2ccc(OC)c(OC)c2OC)CCC1
InChIInChI=1S/C15H20O3/c1-5-15(9-6-10-15)11-7-8-12(16-2)14(18-4)13(11)17-3/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyFJNBREDDSXOGCC-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.32
Rot. Bonds5

About 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene

1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene (PubChem CID 68603464) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene
PubChem CID68603464
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene
SMILESC=CC1(c2ccc(OC)c(OC)c2OC)CCC1
InChIInChI=1S/C15H20O3/c1-5-15(9-6-10-15)11-7-8-12(16-2)14(18-4)13(11)17-3/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyFJNBREDDSXOGCC-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene?
The IUPAC name of 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene (CID 68603464) is 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene is C=CC1(c2ccc(OC)c(OC)c2OC)CCC1.
What is the InChIKey of 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene?
The InChIKey is FJNBREDDSXOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-15(9-6-10-15)11-7-8-12(16-2)14(18-4)13(11)17-3/h5,7-8H,1,6,9-10H2,2-4H3.
What are the key properties of 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene?
1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene has a molecular weight of 248.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene is sourced from PubChem (CID 68603464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).