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

C37H64O5 — CID 161112704

IUPACmethane;4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
SMILESC.C.C=C1OCC(C/C=C/CCCCCC/C=C/CCCCCC/C=C/CCCCCC/C=C/CC2COC(=O)O2)O1
InChIInChI=1S/C35H56O5.2CH4/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;2*1H4/b10-8+,11-9+,26-24+,27-25+;;
InChIKeyUJXGSRADOAPQSI-YQQBRYNPSA-N
MW588.91 g/mol
LogP11.71
Rot. Bonds25

About 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

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 (PubChem CID 161112704) has the molecular formula C37H64O5 and a molecular weight of 588.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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 CID161112704
Molecular FormulaC37H64O5
Molecular Weight588.91 g/mol
Exact Mass588.48
IUPAC Namemethane;4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
SMILESC.C.C=C1OCC(C/C=C/CCCCCC/C=C/CCCCCC/C=C/CCCCCC/C=C/CC2COC(=O)O2)O1
InChIInChI=1S/C35H56O5.2CH4/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;2*1H4/b10-8+,11-9+,26-24+,27-25+;;
InChIKeyUJXGSRADOAPQSI-YQQBRYNPSA-N
XLogP11.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.91
LogP ≤ 511.71
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 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C=C1OCC(C/C=C/CCCCCC/C=C/CCCCCC/C=C/CCCCCC/C=C/CC2COC(=O)O2)O1.
What is the InChIKey of 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?
The InChIKey is UJXGSRADOAPQSI-YQQBRYNPSA-N. The full InChI is InChI=1S/C35H56O5.2CH4/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;2*1H4/b10-8+,11-9+,26-24+,27-25+;;.
What are the key properties of 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?
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 has a molecular weight of 588.91 g/mol, XLogP of 11.71, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161112704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).