6-(furan-2-yl)hexyl formate

C11H16O3 — CID 87852506

IUPAC6-(furan-2-yl)hexyl formate
SMILESO=COCCCCCCc1ccco1
InChIInChI=1S/C11H16O3/c12-10-13-8-4-2-1-3-6-11-7-5-9-14-11/h5,7,9-10H,1-4,6,8H2
InChIKeyJOKMBMVODVIEDZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.56
Rot. Bonds8

About 6-(furan-2-yl)hexyl formate

6-(furan-2-yl)hexyl formate (PubChem CID 87852506) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-(furan-2-yl)hexyl formate.

Molecular Properties

Compound Name6-(furan-2-yl)hexyl formate
PubChem CID87852506
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-(furan-2-yl)hexyl formate
SMILESO=COCCCCCCc1ccco1
InChIInChI=1S/C11H16O3/c12-10-13-8-4-2-1-3-6-11-7-5-9-14-11/h5,7,9-10H,1-4,6,8H2
InChIKeyJOKMBMVODVIEDZ-UHFFFAOYSA-N
XLogP2.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.56
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

5-(furan-2-yl)pentyl formate
CID 87851919
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 6-(furan-2-yl)hexyl formate?
The IUPAC name of 6-(furan-2-yl)hexyl formate (CID 87852506) is 6-(furan-2-yl)hexyl formate.
What is the SMILES notation for 6-(furan-2-yl)hexyl formate?
The canonical SMILES for 6-(furan-2-yl)hexyl formate is O=COCCCCCCc1ccco1.
What is the InChIKey of 6-(furan-2-yl)hexyl formate?
The InChIKey is JOKMBMVODVIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-10-13-8-4-2-1-3-6-11-7-5-9-14-11/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 6-(furan-2-yl)hexyl formate?
6-(furan-2-yl)hexyl formate has a molecular weight of 196.25 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)hexyl formate is sourced from PubChem (CID 87852506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).