3,4,5-tributyl-1H-cyclopenta[c]furan

C19H30O — CID 173057311

IUPAC3,4,5-tributyl-1H-cyclopenta[c]furan
SMILESCCCCC1=C(CCCC)C2=C(CCCC)OCC2=C1
InChIInChI=1S/C19H30O/c1-4-7-10-15-13-16-14-20-18(12-9-6-3)19(16)17(15)11-8-5-2/h13H,4-12,14H2,1-3H3
InChIKeyLEQPBDMNEXFDKZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP6.08
Rot. Bonds9

About 3,4,5-tributyl-1H-cyclopenta[c]furan

3,4,5-tributyl-1H-cyclopenta[c]furan (PubChem CID 173057311) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 3,4,5-tributyl-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3,4,5-tributyl-1H-cyclopenta[c]furan
PubChem CID173057311
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name3,4,5-tributyl-1H-cyclopenta[c]furan
SMILESCCCCC1=C(CCCC)C2=C(CCCC)OCC2=C1
InChIInChI=1S/C19H30O/c1-4-7-10-15-13-16-14-20-18(12-9-6-3)19(16)17(15)11-8-5-2/h13H,4-12,14H2,1-3H3
InChIKeyLEQPBDMNEXFDKZ-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4,5-tributyl-1H-cyclopenta[c]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tributyl-1H-cyclopenta[c]furan?
The IUPAC name of 3,4,5-tributyl-1H-cyclopenta[c]furan (CID 173057311) is 3,4,5-tributyl-1H-cyclopenta[c]furan.
What is the SMILES notation for 3,4,5-tributyl-1H-cyclopenta[c]furan?
The canonical SMILES for 3,4,5-tributyl-1H-cyclopenta[c]furan is CCCCC1=C(CCCC)C2=C(CCCC)OCC2=C1.
What is the InChIKey of 3,4,5-tributyl-1H-cyclopenta[c]furan?
The InChIKey is LEQPBDMNEXFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-4-7-10-15-13-16-14-20-18(12-9-6-3)19(16)17(15)11-8-5-2/h13H,4-12,14H2,1-3H3.
What are the key properties of 3,4,5-tributyl-1H-cyclopenta[c]furan?
3,4,5-tributyl-1H-cyclopenta[c]furan has a molecular weight of 274.45 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tributyl-1H-cyclopenta[c]furan is sourced from PubChem (CID 173057311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).