(2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol

C23H40O3 — CID 11581375

IUPAC(2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@H](O)CO
InChIInChI=1S/C23H40O3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-26-18-23(25)17-24/h9,11,13,15,23-25H,6-8,10,12,14,16-18H2,1-5H3/b20-11+,21-13+,22-15+/t23-/m1/s1
InChIKeyDOQOVRQWQQJATN-IGQSPZABSA-N
MW364.57 g/mol
LogP5.50
Rot. Bonds14

About (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol

(2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol (PubChem CID 11581375) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol
PubChem CID11581375
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name(2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@H](O)CO
InChIInChI=1S/C23H40O3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-26-18-23(25)17-24/h9,11,13,15,23-25H,6-8,10,12,14,16-18H2,1-5H3/b20-11+,21-13+,22-15+/t23-/m1/s1
InChIKeyDOQOVRQWQQJATN-IGQSPZABSA-N
XLogP5.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol (CID 11581375) is (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@H](O)CO.
What is the InChIKey of (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol?
The InChIKey is DOQOVRQWQQJATN-IGQSPZABSA-N. The full InChI is InChI=1S/C23H40O3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-26-18-23(25)17-24/h9,11,13,15,23-25H,6-8,10,12,14,16-18H2,1-5H3/b20-11+,21-13+,22-15+/t23-/m1/s1.
What are the key properties of (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol?
(2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol has a molecular weight of 364.57 g/mol, XLogP of 5.50, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2-diol is sourced from PubChem (CID 11581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).