4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one

C35H56O5 — CID 161112705

IUPAC4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
SMILESC=C1OCC(C/C=C/CCCCCC/C=C/CCCCCC/C=C/CCCCCC/C=C/CC2COC(=O)O2)O1
InChIInChI=1S/C35H56O5/c1-32-37-30-33(39-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-31-38-35(36)40-34/h8-11,24-27,33-34H,1-7,12-23,28-31H2/b10-8+,11-9+,26-24+,27-25+
InChIKeyWEFOALGWSYAPRP-ZJKRRBSTSA-N
MW556.83 g/mol
LogP10.44
Rot. Bonds25

About 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one

4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one (PubChem CID 161112705) has the molecular formula C35H56O5 and a molecular weight of 556.83 g/mol. Its IUPAC name is 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
PubChem CID161112705
Molecular FormulaC35H56O5
Molecular Weight556.83 g/mol
Exact Mass556.41
IUPAC Name4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
SMILESC=C1OCC(C/C=C/CCCCCC/C=C/CCCCCC/C=C/CCCCCC/C=C/CC2COC(=O)O2)O1
InChIInChI=1S/C35H56O5/c1-32-37-30-33(39-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-31-38-35(36)40-34/h8-11,24-27,33-34H,1-7,12-23,28-31H2/b10-8+,11-9+,26-24+,27-25+
InChIKeyWEFOALGWSYAPRP-ZJKRRBSTSA-N
XLogP10.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.83
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one
CID 118487549
4-[(2E,10E,18E,26E)-28-(2-oxo-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
CID 121380586
methane;4-[(2E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,26-dienyl]-1,3-dioxolan-2-one
CID 157420161
4-[(2E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,26-dienyl]-1,3-dioxolan-2-one
CID 157420162
4-[28-(2-Oxo-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
CID 157498404
methane;4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
CID 161112704
4-[28-(2-Oxo-1,3-dioxolan-4-yl)octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenyl]-1,3-dioxolan-2-one
CID 162269561
Methane;4-[28-(2-oxo-1,3-dioxolan-4-yl)octacosa-2,4,6,8,12,14,16,18,20,22,24,26-dodecaenyl]-1,3-dioxolan-2-one
CID 162270540
Methane;4-[28-(2-oxo-1,3-dioxolan-4-yl)octacosa-4,6,8,12,14,16,20,22,24,26-decaenyl]-1,3-dioxolan-2-one
CID 162270542
4-[4,5,6,7,8,9,12,13,14,15,16,17,20,21,22,23,24,25-Octadecamethyl-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
CID 162276502
4-[(2E,10E,18E,26E)-4,5,6,7,8,9,12,13,14,15,16,17,20,21,22,23,24,25-octadecamethyl-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
CID 173607895
4-[(2E,4E,6E,8E,12E,14E,16E,18E,20E,22E,24E,26E)-28-(2-oxo-1,3-dioxolan-4-yl)octacosa-2,4,6,8,12,14,16,18,20,22,24,26-dodecaenyl]-1,3-dioxolan-2-one
CID 173607896

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one (CID 161112705) is 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one is C=C1OCC(C/C=C/CCCCCC/C=C/CCCCCC/C=C/CCCCCC/C=C/CC2COC(=O)O2)O1.
What is the InChIKey of 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one?
The InChIKey is WEFOALGWSYAPRP-ZJKRRBSTSA-N. The full InChI is InChI=1S/C35H56O5/c1-32-37-30-33(39-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-31-38-35(36)40-34/h8-11,24-27,33-34H,1-7,12-23,28-31H2/b10-8+,11-9+,26-24+,27-25+.
What are the key properties of 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one?
4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one has a molecular weight of 556.83 g/mol, XLogP of 10.44, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 161112705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).