3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran

C24H38O2 — CID 176857445

IUPAC3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran
SMILESCCCCCc1cc(C(C)C)oc1-c1oc(C(C)C)cc1CCCCC
InChIInChI=1S/C24H38O2/c1-7-9-11-13-19-15-21(17(3)4)25-23(19)24-20(14-12-10-8-2)16-22(26-24)18(5)6/h15-18H,7-14H2,1-6H3
InChIKeyOLBWORKFHQQWDV-UHFFFAOYSA-N
MW358.57 g/mol
LogP8.25
Rot. Bonds11

About 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran

3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran (PubChem CID 176857445) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran.

Molecular Properties

Compound Name3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran
PubChem CID176857445
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran
SMILESCCCCCc1cc(C(C)C)oc1-c1oc(C(C)C)cc1CCCCC
InChIInChI=1S/C24H38O2/c1-7-9-11-13-19-15-21(17(3)4)25-23(19)24-20(14-12-10-8-2)16-22(26-24)18(5)6/h15-18H,7-14H2,1-6H3
InChIKeyOLBWORKFHQQWDV-UHFFFAOYSA-N
XLogP8.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-5-propan-2-ylfuran
CID 11615340
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2,5-dimethyl-3-pentylfuran
CID 15522203
2,3,5-triheptylfuran
CID 165157097
1,4-bis(bromomethyl)-2,5-didodecylbenzene
CID 11017447
5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
CID 102128857
4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
4,5-didecylbenzene-1,2-diol
CID 15667809
3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene
CID 176857858
1,2-dipentyl-3-propan-2-ylcyclopenta-1,3-diene
CID 173429921
2-methyl-6-octadecyl-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
CID 18519368

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran?
The IUPAC name of 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran (CID 176857445) is 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran.
What is the SMILES notation for 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran?
The canonical SMILES for 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran is CCCCCc1cc(C(C)C)oc1-c1oc(C(C)C)cc1CCCCC.
What is the InChIKey of 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran?
The InChIKey is OLBWORKFHQQWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-7-9-11-13-19-15-21(17(3)4)25-23(19)24-20(14-12-10-8-2)16-22(26-24)18(5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran?
3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran has a molecular weight of 358.57 g/mol, XLogP of 8.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran is sourced from PubChem (CID 176857445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).