(2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol

C23H42O3 — CID 129137162

IUPAC(2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol
SMILESCC(C=CC=C(C)CCCC(C)CCCC(C)C)=CCC(O)[C@@H](O)CO
InChIInChI=1S/C23H42O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22(25)23(26)17-24/h8,13-15,18-19,22-26H,6-7,9-12,16-17H2,1-5H3/t19?,22?,23-/m0/s1
InChIKeyPJSNWUDEGROJHA-HXJXPZHGSA-N
MW366.59 g/mol
LogP5.17
Rot. Bonds14

About (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol

(2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol (PubChem CID 129137162) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol.

Molecular Properties

Compound Name(2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol
PubChem CID129137162
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name(2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol
SMILESCC(C=CC=C(C)CCCC(C)CCCC(C)C)=CCC(O)[C@@H](O)CO
InChIInChI=1S/C23H42O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22(25)23(26)17-24/h8,13-15,18-19,22-26H,6-7,9-12,16-17H2,1-5H3/t19?,22?,23-/m0/s1
InChIKeyPJSNWUDEGROJHA-HXJXPZHGSA-N
XLogP5.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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6,10,14-trimethylpentadeca-1,3,5-triene
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CID 10638184
(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
CID 173080866
CID 160640482
CID 160640482
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CID 54256190
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26-decaene
CID 163184444
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Frequently Asked Questions

What is the IUPAC name of (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol?
The IUPAC name of (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol (CID 129137162) is (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol.
What is the SMILES notation for (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol?
The canonical SMILES for (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol is CC(C=CC=C(C)CCCC(C)CCCC(C)C)=CCC(O)[C@@H](O)CO.
What is the InChIKey of (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol?
The InChIKey is PJSNWUDEGROJHA-HXJXPZHGSA-N. The full InChI is InChI=1S/C23H42O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22(25)23(26)17-24/h8,13-15,18-19,22-26H,6-7,9-12,16-17H2,1-5H3/t19?,22?,23-/m0/s1.
What are the key properties of (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol?
(2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol has a molecular weight of 366.59 g/mol, XLogP of 5.17, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,10,14,18-tetramethylnonadeca-5,7,9-triene-1,2,3-triol is sourced from PubChem (CID 129137162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).