5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol

C17H22O2 — CID 101236838

IUPAC5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol
SMILESCC/C=C\C/C=C\C/C=C\Cc1cc(O)cc(O)c1
InChIInChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h3-4,6-7,9-10,12-14,18-19H,2,5,8,11H2,1H3/b4-3-,7-6-,10-9-
InChIKeyRQTVSRPYMFWJLM-PDBXOOCHSA-N
MW258.36 g/mol
LogP4.50
Rot. Bonds7

About 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol

5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol (PubChem CID 101236838) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol
PubChem CID101236838
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol
SMILESCC/C=C\C/C=C\C/C=C\Cc1cc(O)cc(O)c1
InChIInChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h3-4,6-7,9-10,12-14,18-19H,2,5,8,11H2,1H3/b4-3-,7-6-,10-9-
InChIKeyRQTVSRPYMFWJLM-PDBXOOCHSA-N
XLogP4.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol with MolForge

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Related Compounds

5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
5-pentadeca-2,8-dienylbenzene-1,3-diol
CID 75111208
pentadeca-3,6,9,12-tetraene
CID 123748490
5-(hydroxymethyl)benzene-1,3-diol;propane
CID 171649400
5-propylbenzene-1,3-diol
CID 3083600
4-[(Z)-pent-2-enyl]pyridine
CID 23253538
1-iodo-4-pent-2-enylbenzene
CID 141141997
5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 19379531
5-[(8Z,11Z,16S)-16-hydroxyheptadeca-8,11-dienyl]benzene-1,3-diol
CID 156581418
(2Z,5Z)-N-methylocta-2,5-dien-1-amine
CID 143228963
CID 175718629
CID 175718629
5-[(E)-heptadec-4-enyl]benzene-1,3-diol
CID 11348570

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol?
The IUPAC name of 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol (CID 101236838) is 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol?
The canonical SMILES for 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol is CC/C=C\C/C=C\C/C=C\Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol?
The InChIKey is RQTVSRPYMFWJLM-PDBXOOCHSA-N. The full InChI is InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h3-4,6-7,9-10,12-14,18-19H,2,5,8,11H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol?
5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol has a molecular weight of 258.36 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]benzene-1,3-diol is sourced from PubChem (CID 101236838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).