8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol

C18H30O2 — CID 11843588

IUPAC8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol
SMILESCCCC/C=C/c1ccc(CCCCCCCCO)o1
InChIInChI=1S/C18H30O2/c1-2-3-4-9-12-17-14-15-18(20-17)13-10-7-5-6-8-11-16-19/h9,12,14-15,19H,2-8,10-11,13,16H2,1H3/b12-9+
InChIKeyUDBSGFQMUDAGPG-FMIVXFBMSA-N
MW278.44 g/mol
LogP5.36
Rot. Bonds12

About 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol

8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol (PubChem CID 11843588) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol.

Molecular Properties

Compound Name8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol
PubChem CID11843588
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol
SMILESCCCC/C=C/c1ccc(CCCCCCCCO)o1
InChIInChI=1S/C18H30O2/c1-2-3-4-9-12-17-14-15-18(20-17)13-10-7-5-6-8-11-16-19/h9,12,14-15,19H,2-8,10-11,13,16H2,1H3/b12-9+
InChIKeyUDBSGFQMUDAGPG-FMIVXFBMSA-N
XLogP5.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.36
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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Related Compounds

2,5-bis(undec-1-enyl)furan
CID 90706742
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol
CID 102476471
(E)-heptadec-12-en-1-ol
CID 87814318
methyl (2S)-2-[3-[5-(6-hydroxyhexyl)furan-2-yl]prop-2-enoxycarbonylamino]-3-methylbutanoate
CID 6710239
(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
CID 13205479
ethyl 3-[3-[5-(6-hydroxyhexyl)furan-2-yl]prop-2-enoxycarbonylamino]benzoate
CID 6710236
tetradeca-7,9-dien-1-ol
CID 56637976
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol?
The IUPAC name of 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol (CID 11843588) is 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol.
What is the SMILES notation for 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol?
The canonical SMILES for 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol is CCCC/C=C/c1ccc(CCCCCCCCO)o1.
What is the InChIKey of 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol?
The InChIKey is UDBSGFQMUDAGPG-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-3-4-9-12-17-14-15-18(20-17)13-10-7-5-6-8-11-16-19/h9,12,14-15,19H,2-8,10-11,13,16H2,1H3/b12-9+.
What are the key properties of 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol?
8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 5.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol is sourced from PubChem (CID 11843588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).