2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane

C20H38O2 — CID 20566859

IUPAC2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane
SMILESC/C(=C\CCC1(C)OCCO1)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21-15-16-22-20/h13,17-18H,6-12,14-16H2,1-5H3/b19-13+
InChIKeyFYLFGBUXVQLLQH-CPNJWEJPSA-N
MW310.52 g/mol
LogP6.11
Rot. Bonds11

About 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane

2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane (PubChem CID 20566859) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane
PubChem CID20566859
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane
SMILESC/C(=C\CCC1(C)OCCO1)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21-15-16-22-20/h13,17-18H,6-12,14-16H2,1-5H3/b19-13+
InChIKeyFYLFGBUXVQLLQH-CPNJWEJPSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane (CID 20566859) is 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane is C/C(=C\CCC1(C)OCCO1)CCCC(C)CCCC(C)C.
What is the InChIKey of 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane?
The InChIKey is FYLFGBUXVQLLQH-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H38O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21-15-16-22-20/h13,17-18H,6-12,14-16H2,1-5H3/b19-13+.
What are the key properties of 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane?
2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane has a molecular weight of 310.52 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane is sourced from PubChem (CID 20566859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).