2-(2-methylicosyl)-1,3-dioxolane

C24H48O2 — CID 68718662

IUPAC2-(2-methylicosyl)-1,3-dioxolane
SMILESCCCCCCCCCCCCCCCCCCC(C)CC1OCCO1
InChIInChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-24-25-20-21-26-24/h23-24H,3-22H2,1-2H3
InChIKeyYZJBLJFVFXOKNU-UHFFFAOYSA-N
MW368.65 g/mol
LogP8.04
Rot. Bonds19

About 2-(2-methylicosyl)-1,3-dioxolane

2-(2-methylicosyl)-1,3-dioxolane (PubChem CID 68718662) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-(2-methylicosyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methylicosyl)-1,3-dioxolane
PubChem CID68718662
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name2-(2-methylicosyl)-1,3-dioxolane
SMILESCCCCCCCCCCCCCCCCCCC(C)CC1OCCO1
InChIInChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-24-25-20-21-26-24/h23-24H,3-22H2,1-2H3
InChIKeyYZJBLJFVFXOKNU-UHFFFAOYSA-N
XLogP8.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylicosyl)-1,3-dioxolane?
The IUPAC name of 2-(2-methylicosyl)-1,3-dioxolane (CID 68718662) is 2-(2-methylicosyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-methylicosyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-methylicosyl)-1,3-dioxolane is CCCCCCCCCCCCCCCCCCC(C)CC1OCCO1.
What is the InChIKey of 2-(2-methylicosyl)-1,3-dioxolane?
The InChIKey is YZJBLJFVFXOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-24-25-20-21-26-24/h23-24H,3-22H2,1-2H3.
What are the key properties of 2-(2-methylicosyl)-1,3-dioxolane?
2-(2-methylicosyl)-1,3-dioxolane has a molecular weight of 368.65 g/mol, XLogP of 8.04, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylicosyl)-1,3-dioxolane is sourced from PubChem (CID 68718662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).