5-undec-3-enylbenzene-1,3-diol

C17H26O2 — CID 71437101

IUPAC5-undec-3-enylbenzene-1,3-diol
SMILESCCCCCCCC=CCCc1cc(O)cc(O)c1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3
InChIKeyKBZMDBAMUVCKBO-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.95
Rot. Bonds9

About 5-undec-3-enylbenzene-1,3-diol

5-undec-3-enylbenzene-1,3-diol (PubChem CID 71437101) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-undec-3-enylbenzene-1,3-diol.

Molecular Properties

Compound Name5-undec-3-enylbenzene-1,3-diol
PubChem CID71437101
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-undec-3-enylbenzene-1,3-diol
SMILESCCCCCCCC=CCCc1cc(O)cc(O)c1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3
InChIKeyKBZMDBAMUVCKBO-UHFFFAOYSA-N
XLogP4.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.95
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-8-enyl]benzene-1,3-diol
CID 6916254
5-[(E)-heptadec-4-enyl]benzene-1,3-diol
CID 11348570
5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
5-tridec-8-enylbenzene-1,3-diol
CID 53436336
5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
5-pentadeca-2,8-dienylbenzene-1,3-diol
CID 75111208
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
CID 175718629
CID 175718629
1-(3,5-dihydroxyphenyl)nonadec-10-en-2-one
CID 85250956
1-(3,5-dihydroxyphenyl)henicos-14-en-2-one
CID 72953865
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768

Frequently Asked Questions

What is the IUPAC name of 5-undec-3-enylbenzene-1,3-diol?
The IUPAC name of 5-undec-3-enylbenzene-1,3-diol (CID 71437101) is 5-undec-3-enylbenzene-1,3-diol.
What is the SMILES notation for 5-undec-3-enylbenzene-1,3-diol?
The canonical SMILES for 5-undec-3-enylbenzene-1,3-diol is CCCCCCCC=CCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-undec-3-enylbenzene-1,3-diol?
The InChIKey is KBZMDBAMUVCKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3.
What are the key properties of 5-undec-3-enylbenzene-1,3-diol?
5-undec-3-enylbenzene-1,3-diol has a molecular weight of 262.39 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undec-3-enylbenzene-1,3-diol is sourced from PubChem (CID 71437101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).