[(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate

C27H50O4 — CID 166695222

IUPAC[(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate
SMILESC/C(=C\C(=O)OC[C@@H](C)C1OCC[C@H]1O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C27H50O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-26(29)31-19-24(6)27-25(28)16-17-30-27/h18,20-22,24-25,27-28H,7-17,19H2,1-6H3/b23-18+/t21?,22?,24-,25-,27?/m1/s1
InChIKeyGFJKDDFOAOBKBK-AXTKHUSCSA-N
MW438.69 g/mol
LogP6.70
Rot. Bonds16

About [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate

[(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate (PubChem CID 166695222) has the molecular formula C27H50O4 and a molecular weight of 438.69 g/mol. Its IUPAC name is [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate.

Molecular Properties

Compound Name[(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate
PubChem CID166695222
Molecular FormulaC27H50O4
Molecular Weight438.69 g/mol
Exact Mass438.37
IUPAC Name[(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate
SMILESC/C(=C\C(=O)OC[C@@H](C)C1OCC[C@H]1O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C27H50O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-26(29)31-19-24(6)27-25(28)16-17-30-27/h18,20-22,24-25,27-28H,7-17,19H2,1-6H3/b23-18+/t21?,22?,24-,25-,27?/m1/s1
InChIKeyGFJKDDFOAOBKBK-AXTKHUSCSA-N
XLogP6.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.69
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate?
The IUPAC name of [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate (CID 166695222) is [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate.
What is the SMILES notation for [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate?
The canonical SMILES for [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate is C/C(=C\C(=O)OC[C@@H](C)C1OCC[C@H]1O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate?
The InChIKey is GFJKDDFOAOBKBK-AXTKHUSCSA-N. The full InChI is InChI=1S/C27H50O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-26(29)31-19-24(6)27-25(28)16-17-30-27/h18,20-22,24-25,27-28H,7-17,19H2,1-6H3/b23-18+/t21?,22?,24-,25-,27?/m1/s1.
What are the key properties of [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate?
[(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate has a molecular weight of 438.69 g/mol, XLogP of 6.70, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3R)-3-hydroxyoxolan-2-yl]propyl] (E)-3,7,11,15-tetramethylhexadec-2-enoate is sourced from PubChem (CID 166695222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).