2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol

C20H34O3 — CID 163127323

IUPAC2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
SMILESC=CC(C)(O)CC=CC(C)(O)CCC=C(C)CCC=C(C)CO
InChIInChI=1S/C20H34O3/c1-6-19(4,22)14-9-15-20(5,23)13-8-12-17(2)10-7-11-18(3)16-21/h6,9,11-12,15,21-23H,1,7-8,10,13-14,16H2,2-5H3
InChIKeyDUZIISMRFRISNA-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.07
Rot. Bonds11

About 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol

2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol (PubChem CID 163127323) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol.

Molecular Properties

Compound Name2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
PubChem CID163127323
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
SMILESC=CC(C)(O)CC=CC(C)(O)CCC=C(C)CCC=C(C)CO
InChIInChI=1S/C20H34O3/c1-6-19(4,22)14-9-15-20(5,23)13-8-12-17(2)10-7-11-18(3)16-21/h6,9,11-12,15,21-23H,1,7-8,10,13-14,16H2,2-5H3
InChIKeyDUZIISMRFRISNA-UHFFFAOYSA-N
XLogP4.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
CID 163086430
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol
CID 162968416
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
CID 163027409
(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
CID 134861402
11-hydroxy-1-methoxy-3,7,11-trimethyltrideca-3,7,12-trien-2-one
CID 57042220

Frequently Asked Questions

What is the IUPAC name of 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol?
The IUPAC name of 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol (CID 163127323) is 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol.
What is the SMILES notation for 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol?
The canonical SMILES for 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol is C=CC(C)(O)CC=CC(C)(O)CCC=C(C)CCC=C(C)CO.
What is the InChIKey of 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol?
The InChIKey is DUZIISMRFRISNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-6-19(4,22)14-9-15-20(5,23)13-8-12-17(2)10-7-11-18(3)16-21/h6,9,11-12,15,21-23H,1,7-8,10,13-14,16H2,2-5H3.
What are the key properties of 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol?
2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol has a molecular weight of 322.49 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol is sourced from PubChem (CID 163127323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).