(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol

C20H34O3 — CID 10734640

IUPAC(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
SMILESC=CC(C)(O)CC(O)/C=C(\C)CC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O3/c1-7-20(6,23)14-19(22)13-17(5)12-18(21)11-16(4)10-8-9-15(2)3/h7,9,11,13,18-19,21-23H,1,8,10,12,14H2,2-6H3/b16-11+,17-13+
InChIKeyORFNMFQBYRQSRP-IUBLYSDUSA-N
MW322.49 g/mol
LogP4.06
Rot. Bonds10

About (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol

(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol (PubChem CID 10734640) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol.

Molecular Properties

Compound Name(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
PubChem CID10734640
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
SMILESC=CC(C)(O)CC(O)/C=C(\C)CC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O3/c1-7-20(6,23)14-19(22)13-17(5)12-18(21)11-16(4)10-8-9-15(2)3/h7,9,11,13,18-19,21-23H,1,8,10,12,14H2,2-6H3/b16-11+,17-13+
InChIKeyORFNMFQBYRQSRP-IUBLYSDUSA-N
XLogP4.06
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 ≤ 54.06
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

[(6E,8S,10E,12R,14S)-12,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-8-yl] acetate
CID 163101575
[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
CID 10827791
(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
CID 162965161
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 87863906
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraenyl]-5-methylbenzene-1,4-diol
CID 162900833
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
CID 56942415
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol?
The IUPAC name of (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol (CID 10734640) is (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol.
What is the SMILES notation for (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol?
The canonical SMILES for (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol is C=CC(C)(O)CC(O)/C=C(\C)CC(O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol?
The InChIKey is ORFNMFQBYRQSRP-IUBLYSDUSA-N. The full InChI is InChI=1S/C20H34O3/c1-7-20(6,23)14-19(22)13-17(5)12-18(21)11-16(4)10-8-9-15(2)3/h7,9,11,13,18-19,21-23H,1,8,10,12,14H2,2-6H3/b16-11+,17-13+.
What are the key properties of (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol?
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol has a molecular weight of 322.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol is sourced from PubChem (CID 10734640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).