[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate

C20H34O4 — CID 161142340

IUPAC[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate
SMILESCC(C)=CCC/C(C)=C/CCC(C)=CCCCOC(=O)C(O)CO
InChIInChI=1S/C20H34O4/c1-16(2)9-7-11-18(4)13-8-12-17(3)10-5-6-14-24-20(23)19(22)15-21/h9-10,13,19,21-22H,5-8,11-12,14-15H2,1-4H3/b17-10?,18-13+
InChIKeyUNPOEYZJIHGFKS-BLKVHLKTSA-N
MW338.49 g/mol
LogP4.08
Rot. Bonds12

About [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate

[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate (PubChem CID 161142340) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate
PubChem CID161142340
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate
SMILESCC(C)=CCC/C(C)=C/CCC(C)=CCCCOC(=O)C(O)CO
InChIInChI=1S/C20H34O4/c1-16(2)9-7-11-18(4)13-8-12-17(3)10-5-6-14-24-20(23)19(22)15-21/h9-10,13,19,21-22H,5-8,11-12,14-15H2,1-4H3/b17-10?,18-13+
InChIKeyUNPOEYZJIHGFKS-BLKVHLKTSA-N
XLogP4.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
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

(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 13291922
4-hydroxybutyl (2E)-3,7-dimethylocta-2,6-dienoate
CID 137492210
2,3-dihydroxypropyl (6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 148956116
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
3,7-dimethylocta-2,6-dienyl 7,11-dimethyldodeca-6,10-dienoate
CID 91565199
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
CID 118913633
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989

Frequently Asked Questions

What is the IUPAC name of [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate?
The IUPAC name of [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate (CID 161142340) is [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate.
What is the SMILES notation for [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate?
The canonical SMILES for [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate is CC(C)=CCC/C(C)=C/CCC(C)=CCCCOC(=O)C(O)CO.
What is the InChIKey of [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate?
The InChIKey is UNPOEYZJIHGFKS-BLKVHLKTSA-N. The full InChI is InChI=1S/C20H34O4/c1-16(2)9-7-11-18(4)13-8-12-17(3)10-5-6-14-24-20(23)19(22)15-21/h9-10,13,19,21-22H,5-8,11-12,14-15H2,1-4H3/b17-10?,18-13+.
What are the key properties of [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate?
[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate has a molecular weight of 338.49 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 2,3-dihydroxypropanoate is sourced from PubChem (CID 161142340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).