5-(furan-2-yl)pentan-1-ol

C9H14O2 — CID 13296436

IUPAC5-(furan-2-yl)pentan-1-ol
SMILESOCCCCCc1ccco1
InChIInChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h4,6,8,10H,1-3,5,7H2
InChIKeyIEGJGVGPTDJSEY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.98
Rot. Bonds5

About 5-(furan-2-yl)pentan-1-ol

5-(furan-2-yl)pentan-1-ol (PubChem CID 13296436) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(furan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(furan-2-yl)pentan-1-ol
PubChem CID13296436
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-(furan-2-yl)pentan-1-ol
SMILESOCCCCCc1ccco1
InChIInChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h4,6,8,10H,1-3,5,7H2
InChIKeyIEGJGVGPTDJSEY-UHFFFAOYSA-N
XLogP1.98
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)pentan-1-ol?
The IUPAC name of 5-(furan-2-yl)pentan-1-ol (CID 13296436) is 5-(furan-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(furan-2-yl)pentan-1-ol?
The canonical SMILES for 5-(furan-2-yl)pentan-1-ol is OCCCCCc1ccco1.
What is the InChIKey of 5-(furan-2-yl)pentan-1-ol?
The InChIKey is IEGJGVGPTDJSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h4,6,8,10H,1-3,5,7H2.
What are the key properties of 5-(furan-2-yl)pentan-1-ol?
5-(furan-2-yl)pentan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)pentan-1-ol is sourced from PubChem (CID 13296436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).