2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane

C19H36O2 — CID 57116844

IUPAC2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane
SMILESCCCC(C)CCCCCC(C)=CCCC1(C)OCCO1
InChIInChI=1S/C19H36O2/c1-5-10-17(2)11-7-6-8-12-18(3)13-9-14-19(4)20-15-16-21-19/h13,17H,5-12,14-16H2,1-4H3
InChIKeyQXJPCLKGKPKGOJ-UHFFFAOYSA-N
MW296.49 g/mol
LogP5.86
Rot. Bonds11

About 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane

2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane (PubChem CID 57116844) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane
PubChem CID57116844
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane
SMILESCCCC(C)CCCCCC(C)=CCCC1(C)OCCO1
InChIInChI=1S/C19H36O2/c1-5-10-17(2)11-7-6-8-12-18(3)13-9-14-19(4)20-15-16-21-19/h13,17H,5-12,14-16H2,1-4H3
InChIKeyQXJPCLKGKPKGOJ-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane (CID 57116844) is 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane is CCCC(C)CCCCCC(C)=CCCC1(C)OCCO1.
What is the InChIKey of 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane?
The InChIKey is QXJPCLKGKPKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-5-10-17(2)11-7-6-8-12-18(3)13-9-14-19(4)20-15-16-21-19/h13,17H,5-12,14-16H2,1-4H3.
What are the key properties of 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane?
2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane has a molecular weight of 296.49 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,10-dimethyltridec-3-enyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 57116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).