3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol

C24H42O3 — CID 118913633

IUPAC3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCOCC(O)CO
InChIInChI=1S/C24H42O3/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-27-19-24(26)18-25/h10,12,14,16,24-26H,6-9,11,13,15,17-19H2,1-5H3
InChIKeyKBVAZLPTKZCJAI-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.89
Rot. Bonds15

About 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol

3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol (PubChem CID 118913633) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
PubChem CID118913633
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCOCC(O)CO
InChIInChI=1S/C24H42O3/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-27-19-24(26)18-25/h10,12,14,16,24-26H,6-9,11,13,15,17-19H2,1-5H3
InChIKeyKBVAZLPTKZCJAI-UHFFFAOYSA-N
XLogP5.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.89
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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Related Compounds

(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol
CID 141426027
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768
2,3-dihydroxypropyl (6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 148956116
3-(5,9,13-trimethyltetradec-4-enoxy)propane-1,2-diol
CID 75995743
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
CID 121434427
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

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol?
The IUPAC name of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol (CID 118913633) is 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol?
The canonical SMILES for 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCOCC(O)CO.
What is the InChIKey of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol?
The InChIKey is KBVAZLPTKZCJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-27-19-24(26)18-25/h10,12,14,16,24-26H,6-9,11,13,15,17-19H2,1-5H3.
What are the key properties of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol?
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol has a molecular weight of 378.60 g/mol, XLogP of 5.89, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol is sourced from PubChem (CID 118913633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).