8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol

C20H36O3 — CID 102476471

IUPAC8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol
SMILESOCCCCCCCCc1ccc(CCCCCCCCO)o1
InChIInChI=1S/C20H36O3/c21-17-11-7-3-1-5-9-13-19-15-16-20(23-19)14-10-6-2-4-8-12-18-22/h15-16,21-22H,1-14,17-18H2
InChIKeyCQMKALOHKLZKPA-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.03
Rot. Bonds16

About 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol

8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol (PubChem CID 102476471) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol.

Molecular Properties

Compound Name8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol
PubChem CID102476471
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol
SMILESOCCCCCCCCc1ccc(CCCCCCCCO)o1
InChIInChI=1S/C20H36O3/c21-17-11-7-3-1-5-9-13-19-15-16-20(23-19)14-10-6-2-4-8-12-18-22/h15-16,21-22H,1-14,17-18H2
InChIKeyCQMKALOHKLZKPA-UHFFFAOYSA-N
XLogP5.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
11-(furan-2-yl)undecan-1-ol
CID 139763920
8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol
CID 11843588
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol
CID 19996115
3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol
CID 145016432
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
5-(4-hydroxybutyl)furan-2-carbaldehyde;2-[5-(4-hydroxybutyl)furan-2-yl]acetaldehyde;4-[5-(4-hydroxybutyl)furan-2-yl]butanal;5-(2-hydroxyethyl)furan-2-carbaldehyde;2-[5-(2-hydroxyethyl)furan-2-yl]acetaldehyde;5-(6-hydroxyhexyl)furan-2-carbaldehyde;2-[5-(6-hydroxyhexyl)furan-2-yl]acetaldehyde;6-[5-(6-hydroxyhexyl)furan-2-yl]hexanal;5-(hydroxymethyl)furan-2-carbaldehyde;5-(5-hydroxypentyl)furan-2-carbaldehyde;2-[5-(5-hydroxypentyl)furan-2-yl]acetaldehyde;5-[5-(5-hydroxypentyl)furan-2-yl]pentanal;5-(3-hydroxypropyl)furan-2-carbaldehyde;2-[5-(3-hydroxypropyl)furan-2-yl]acetaldehyde;3-[5-(3-hydroxypropyl)furan-2-yl]propanal
CID 159876098
5-pentadecylfuran-2-carboxylic acid
CID 177129672
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
5-heptylfuran-2-sulfonic acid
CID 129105151
(5-tetradecylfuran-2-yl)methanesulfonic acid
CID 155313093

Frequently Asked Questions

What is the IUPAC name of 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol?
The IUPAC name of 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol (CID 102476471) is 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol.
What is the SMILES notation for 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol?
The canonical SMILES for 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol is OCCCCCCCCc1ccc(CCCCCCCCO)o1.
What is the InChIKey of 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol?
The InChIKey is CQMKALOHKLZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c21-17-11-7-3-1-5-9-13-19-15-16-20(23-19)14-10-6-2-4-8-12-18-22/h15-16,21-22H,1-14,17-18H2.
What are the key properties of 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol?
8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol has a molecular weight of 324.51 g/mol, XLogP of 5.03, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol is sourced from PubChem (CID 102476471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).