2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane

C22H36O2 — CID 46243153

IUPAC2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
SMILESCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC1OCCO1
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24-22/h3-4,6-7,9-10,15-16,22H,2,5,8,11-14,17-21H2,1H3/b4-3-,7-6-,10-9-,16-15-
InChIKeySPNMHVUHYPQZTJ-OUJQXAOTSA-N
MW332.53 g/mol
LogP6.51
Rot. Bonds14

About 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane

2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane (PubChem CID 46243153) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
PubChem CID46243153
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
SMILESCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC1OCCO1
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24-22/h3-4,6-7,9-10,15-16,22H,2,5,8,11-14,17-21H2,1H3/b4-3-,7-6-,10-9-,16-15-
InChIKeySPNMHVUHYPQZTJ-OUJQXAOTSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane with MolForge

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Related Compounds

methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane
CID 10702589
2-(35-chloropentatriaconta-12,24-dienyl)-1,3-dioxolane;hexane
CID 68609176
2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane
CID 69493253
2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
CID 54311506
tetradeca-5,8,11-trien-1-ol
CID 165176373
heptadeca-3,6,12-triene
CID 54220025
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane
CID 10419573
2-ethylicosa-2,11,14,17-tetraen-1-ol
CID 74388131
henicosa-3,6-diene
CID 72727393

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane?
The IUPAC name of 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane (CID 46243153) is 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane?
The canonical SMILES for 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane is CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC1OCCO1.
What is the InChIKey of 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane?
The InChIKey is SPNMHVUHYPQZTJ-OUJQXAOTSA-N. The full InChI is InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24-22/h3-4,6-7,9-10,15-16,22H,2,5,8,11-14,17-21H2,1H3/b4-3-,7-6-,10-9-,16-15-.
What are the key properties of 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane?
2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane has a molecular weight of 332.53 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane is sourced from PubChem (CID 46243153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).