5-tridec-8-enylbenzene-1,3-diol

C19H30O2 — CID 53436336

IUPAC5-tridec-8-enylbenzene-1,3-diol
SMILESCCCCC=CCCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3
InChIKeyILUMNMFPGSFYMK-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.73
Rot. Bonds11

About 5-tridec-8-enylbenzene-1,3-diol

5-tridec-8-enylbenzene-1,3-diol (PubChem CID 53436336) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-tridec-8-enylbenzene-1,3-diol.

Molecular Properties

Compound Name5-tridec-8-enylbenzene-1,3-diol
PubChem CID53436336
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name5-tridec-8-enylbenzene-1,3-diol
SMILESCCCCC=CCCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3
InChIKeyILUMNMFPGSFYMK-UHFFFAOYSA-N
XLogP5.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
5-[(E)-heptadec-4-enyl]benzene-1,3-diol
CID 11348570
5-undec-3-enylbenzene-1,3-diol
CID 71437101
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol
CID 6440454
CID 175718629
CID 175718629
5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
5-pentadeca-2,8-dienylbenzene-1,3-diol
CID 75111208
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044

Frequently Asked Questions

What is the IUPAC name of 5-tridec-8-enylbenzene-1,3-diol?
The IUPAC name of 5-tridec-8-enylbenzene-1,3-diol (CID 53436336) is 5-tridec-8-enylbenzene-1,3-diol.
What is the SMILES notation for 5-tridec-8-enylbenzene-1,3-diol?
The canonical SMILES for 5-tridec-8-enylbenzene-1,3-diol is CCCCC=CCCCCCCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-tridec-8-enylbenzene-1,3-diol?
The InChIKey is ILUMNMFPGSFYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3.
What are the key properties of 5-tridec-8-enylbenzene-1,3-diol?
5-tridec-8-enylbenzene-1,3-diol has a molecular weight of 290.45 g/mol, XLogP of 5.73, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tridec-8-enylbenzene-1,3-diol is sourced from PubChem (CID 53436336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).