(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol

C25H44O4 — CID 141426027

IUPAC(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCOC[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H44O4/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-29-19-25(28)24(27)18-26/h10,12,14,16,24-28H,6-9,11,13,15,17-19H2,1-5H3/t24-,25+/m1/s1
InChIKeyFQHYSPZLUPVMBZ-RPBOFIJWSA-N
MW408.62 g/mol
LogP5.25
Rot. Bonds16

About (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol

(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol (PubChem CID 141426027) has the molecular formula C25H44O4 and a molecular weight of 408.62 g/mol. Its IUPAC name is (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol
PubChem CID141426027
Molecular FormulaC25H44O4
Molecular Weight408.62 g/mol
Exact Mass408.32
IUPAC Name(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCOC[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H44O4/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-29-19-25(28)24(27)18-26/h10,12,14,16,24-28H,6-9,11,13,15,17-19H2,1-5H3/t24-,25+/m1/s1
InChIKeyFQHYSPZLUPVMBZ-RPBOFIJWSA-N
XLogP5.25
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.62
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
CID 118913633
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CID 174355768
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
CID 121434427
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propan-1-ol
CID 14556936
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol?
The IUPAC name of (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol (CID 141426027) is (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol.
What is the SMILES notation for (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol?
The canonical SMILES for (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCOC[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol?
The InChIKey is FQHYSPZLUPVMBZ-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H44O4/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-29-19-25(28)24(27)18-26/h10,12,14,16,24-28H,6-9,11,13,15,17-19H2,1-5H3/t24-,25+/m1/s1.
What are the key properties of (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol?
(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol has a molecular weight of 408.62 g/mol, XLogP of 5.25, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol is sourced from PubChem (CID 141426027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).