(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol

C15H26O3 — CID 163086430

IUPAC(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
SMILESC=C[C@@](C)(O)CC=C[C@@](C)(O)CC=CC(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-14(4,17)10-8-12-15(5,18)11-7-9-13(2,3)16/h6-9,12,16-18H,1,10-11H2,2-5H3/t14-,15+/m1/s1
InChIKeyXLNXCFYJSBMHJC-CABCVRRESA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds7

About (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol

(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol (PubChem CID 163086430) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol.

Molecular Properties

Compound Name(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
PubChem CID163086430
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
SMILESC=C[C@@](C)(O)CC=C[C@@](C)(O)CC=CC(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-14(4,17)10-8-12-15(5,18)11-7-9-13(2,3)16/h6-9,12,16-18H,1,10-11H2,2-5H3/t14-,15+/m1/s1
InChIKeyXLNXCFYJSBMHJC-CABCVRRESA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol with MolForge

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Related Compounds

(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol
CID 5368118
(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
CID 163127323
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol
CID 58545189
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
(6,10-dihydroxy-2,6,10-trimethyldodeca-1,7,11-trien-3-yl) acetate
CID 74400139
(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one
CID 162958275
1-bromo-2-methylbut-3-en-2-ol
CID 551234
2-methyl-1-methylsulfanylbut-3-en-2-ol
CID 119098384
(E)-5,5,9-trimethyldec-7-ene-1,9-diol
CID 21261663
(3S)-3-hydroxy-3-methylpent-4-enenitrile
CID 11491924

Frequently Asked Questions

What is the IUPAC name of (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol?
The IUPAC name of (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol (CID 163086430) is (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol.
What is the SMILES notation for (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol?
The canonical SMILES for (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol is C=C[C@@](C)(O)CC=C[C@@](C)(O)CC=CC(C)(C)O.
What is the InChIKey of (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol?
The InChIKey is XLNXCFYJSBMHJC-CABCVRRESA-N. The full InChI is InChI=1S/C15H26O3/c1-6-14(4,17)10-8-12-15(5,18)11-7-9-13(2,3)16/h6-9,12,16-18H,1,10-11H2,2-5H3/t14-,15+/m1/s1.
What are the key properties of (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol?
(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol is sourced from PubChem (CID 163086430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).