(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol

C23H40O3 — CID 121434427

IUPAC(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC(O)C(O)CO
InChIInChI=1S/C23H40O3/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/h9,11,13,15,22-26H,6-8,10,12,14,16-17H2,1-5H3/b19-11+,20-13+,21-15+
InChIKeyLVPPXKWSCIWPOE-YKBIRWAZSA-N
MW364.57 g/mol
LogP5.24
Rot. Bonds13

About (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol

(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol (PubChem CID 121434427) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol.

Molecular Properties

Compound Name(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
PubChem CID121434427
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC(O)C(O)CO
InChIInChI=1S/C23H40O3/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/h9,11,13,15,22-26H,6-8,10,12,14,16-17H2,1-5H3/b19-11+,20-13+,21-15+
InChIKeyLVPPXKWSCIWPOE-YKBIRWAZSA-N
XLogP5.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol?
The IUPAC name of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol (CID 121434427) is (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol.
What is the SMILES notation for (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol?
The canonical SMILES for (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC(O)C(O)CO.
What is the InChIKey of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol?
The InChIKey is LVPPXKWSCIWPOE-YKBIRWAZSA-N. The full InChI is InChI=1S/C23H40O3/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/h9,11,13,15,22-26H,6-8,10,12,14,16-17H2,1-5H3/b19-11+,20-13+,21-15+.
What are the key properties of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol?
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol has a molecular weight of 364.57 g/mol, XLogP of 5.24, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol is sourced from PubChem (CID 121434427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).