2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan

C17H24O — CID 11184143

IUPAC2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan
SMILESCCCCC1=C(CCCC)C(c2ccco2)=CC1
InChIInChI=1S/C17H24O/c1-3-5-8-14-11-12-16(15(14)9-6-4-2)17-10-7-13-18-17/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyPBWUJFWJCANUQS-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.74
Rot. Bonds7

About 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan

2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan (PubChem CID 11184143) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan.

Molecular Properties

Compound Name2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan
PubChem CID11184143
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan
SMILESCCCCC1=C(CCCC)C(c2ccco2)=CC1
InChIInChI=1S/C17H24O/c1-3-5-8-14-11-12-16(15(14)9-6-4-2)17-10-7-13-18-17/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyPBWUJFWJCANUQS-UHFFFAOYSA-N
XLogP5.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan?
The IUPAC name of 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan (CID 11184143) is 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan.
What is the SMILES notation for 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan?
The canonical SMILES for 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan is CCCCC1=C(CCCC)C(c2ccco2)=CC1.
What is the InChIKey of 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan?
The InChIKey is PBWUJFWJCANUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-8-14-11-12-16(15(14)9-6-4-2)17-10-7-13-18-17/h7,10,12-13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan?
2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan has a molecular weight of 244.38 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan is sourced from PubChem (CID 11184143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).