5-(furan-2-yl)pentyl formate

C10H14O3 — CID 87851919

IUPAC5-(furan-2-yl)pentyl formate
SMILESO=COCCCCCc1ccco1
InChIInChI=1S/C10H14O3/c11-9-12-7-3-1-2-5-10-6-4-8-13-10/h4,6,8-9H,1-3,5,7H2
InChIKeyGODFASQPLVOLFU-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.17
Rot. Bonds7

About 5-(furan-2-yl)pentyl formate

5-(furan-2-yl)pentyl formate (PubChem CID 87851919) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(furan-2-yl)pentyl formate.

Molecular Properties

Compound Name5-(furan-2-yl)pentyl formate
PubChem CID87851919
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-(furan-2-yl)pentyl formate
SMILESO=COCCCCCc1ccco1
InChIInChI=1S/C10H14O3/c11-9-12-7-3-1-2-5-10-6-4-8-13-10/h4,6,8-9H,1-3,5,7H2
InChIKeyGODFASQPLVOLFU-UHFFFAOYSA-N
XLogP2.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(furan-2-yl)hexyl formate
CID 87852506
4-(furan-2-yl)butanal
CID 14455558
11-(furan-2-yl)undecan-1-ol
CID 139763920
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
7-(furan-2-yl)hept-2-ynal
CID 102105207
ethane;2-(3-methoxypropyl)furan
CID 144595726
6-(5-phenylpentoxy)hexyl formate
CID 87852728
2-(3-chloropropyl)furan
CID 12549641
3-(furan-2-yl)propane-1-thiol
CID 12549643
2-[5-(furan-2-yl)pentoxy]oxane
CID 102163402
2-[5-(1-bromohexan-2-yloxy)pentyl]furan
CID 57221819
2-(2-methoxyethyl)furan
CID 19010334

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)pentyl formate?
The IUPAC name of 5-(furan-2-yl)pentyl formate (CID 87851919) is 5-(furan-2-yl)pentyl formate.
What is the SMILES notation for 5-(furan-2-yl)pentyl formate?
The canonical SMILES for 5-(furan-2-yl)pentyl formate is O=COCCCCCc1ccco1.
What is the InChIKey of 5-(furan-2-yl)pentyl formate?
The InChIKey is GODFASQPLVOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-12-7-3-1-2-5-10-6-4-8-13-10/h4,6,8-9H,1-3,5,7H2.
What are the key properties of 5-(furan-2-yl)pentyl formate?
5-(furan-2-yl)pentyl formate has a molecular weight of 182.22 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)pentyl formate is sourced from PubChem (CID 87851919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).