methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol

C24H40O4 — CID 145138269

IUPACmethanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1OCC(CO)O1.CO
InChIInChI=1S/C23H36O3.CH4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-21-22(20-24)26-23;1-2/h3-4,6-7,9-10,12-13,15-16,22-24H,2,5,8,11,14,17-21H2,1H3;2H,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-;
InChIKeyLIXLHUPSLFXUMN-RSDXMDNYSA-N
MW392.58 g/mol
LogP5.25
Rot. Bonds14

About methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol

methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 145138269) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Namemethanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
PubChem CID145138269
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Namemethanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1OCC(CO)O1.CO
InChIInChI=1S/C23H36O3.CH4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-21-22(20-24)26-23;1-2/h3-4,6-7,9-10,12-13,15-16,22-24H,2,5,8,11,14,17-21H2,1H3;2H,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-;
InChIKeyLIXLHUPSLFXUMN-RSDXMDNYSA-N
XLogP5.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 55.25
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'}

Analyze methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 125479888
2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
CID 46243153
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
N,N-dimethyl-1-[2-[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxan-4-yl]methanamine
CID 156756130
tetradeca-5,8,11-trien-1-ol
CID 165176373
[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 173452777
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol
CID 123961032
[(2R,4R)-2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 58758371

Frequently Asked Questions

What is the IUPAC name of methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol (CID 145138269) is methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1OCC(CO)O1.CO.
What is the InChIKey of methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is LIXLHUPSLFXUMN-RSDXMDNYSA-N. The full InChI is InChI=1S/C23H36O3.CH4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-21-22(20-24)26-23;1-2/h3-4,6-7,9-10,12-13,15-16,22-24H,2,5,8,11,14,17-21H2,1H3;2H,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-;.
What are the key properties of methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol?
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 392.58 g/mol, XLogP of 5.25, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 145138269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).