(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol

C20H34O3 — CID 162956168

IUPAC(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol
SMILESCC(C)=C[C@H](O)C/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/CO
InChIInChI=1S/C20H34O3/c1-16(2)14-19(22)15-18(4)9-7-12-20(5,23)11-6-8-17(3)10-13-21/h6,9-11,14,19,21-23H,7-8,12-13,15H2,1-5H3/b11-6+,17-10+,18-9+/t19-,20+/m0/s1
InChIKeyXVUHXGFVXWXCFD-HYEJLCSDSA-N
MW322.49 g/mol
LogP4.07
Rot. Bonds10

About (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol

(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol (PubChem CID 162956168) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol.

Molecular Properties

Compound Name(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol
PubChem CID162956168
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol
SMILESCC(C)=C[C@H](O)C/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/CO
InChIInChI=1S/C20H34O3/c1-16(2)14-19(22)15-18(4)9-7-12-20(5,23)11-6-8-17(3)10-13-21/h6,9-11,14,19,21-23H,7-8,12-13,15H2,1-5H3/b11-6+,17-10+,18-9+/t19-,20+/m0/s1
InChIKeyXVUHXGFVXWXCFD-HYEJLCSDSA-N
XLogP4.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
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'}

Analyze (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol with MolForge

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Related Compounds

2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
2-(11-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,9,14-tetraenyl)-6-methylbenzene-1,4-diol
CID 74052006
2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraenyl]-5-methylbenzene-1,4-diol
CID 162900833
(6E,9E)-3,7,11-trimethyldodeca-1,6,9-trien-3-ol
CID 91751280
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
CID 10734640
2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
CID 163127323
actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol
CID 59931094
2,6-dimethylocta-2,6-dien-4-ol
CID 57084943
(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
CID 21079518
(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
CID 52929830
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031

Frequently Asked Questions

What is the IUPAC name of (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol?
The IUPAC name of (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol (CID 162956168) is (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol.
What is the SMILES notation for (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol?
The canonical SMILES for (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol is CC(C)=C[C@H](O)C/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/CO.
What is the InChIKey of (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol?
The InChIKey is XVUHXGFVXWXCFD-HYEJLCSDSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(2)14-19(22)15-18(4)9-7-12-20(5,23)11-6-8-17(3)10-13-21/h6,9-11,14,19,21-23H,7-8,12-13,15H2,1-5H3/b11-6+,17-10+,18-9+/t19-,20+/m0/s1.
What are the key properties of (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol?
(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol has a molecular weight of 322.49 g/mol, XLogP of 4.07, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol is sourced from PubChem (CID 162956168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).