2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane

C15H28O2 — CID 5368016

IUPAC2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane
SMILESCCCCCCC/C=C(\C)CCC1OCCO1
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-14(2)10-11-15-16-12-13-17-15/h9,15H,3-8,10-13H2,1-2H3/b14-9+
InChIKeyLSTPALQUNNSDQL-NTEUORMPSA-N
MW240.39 g/mol
LogP4.45
Rot. Bonds9

About 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane

2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane (PubChem CID 5368016) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane
PubChem CID5368016
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane
SMILESCCCCCCC/C=C(\C)CCC1OCCO1
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-14(2)10-11-15-16-12-13-17-15/h9,15H,3-8,10-13H2,1-2H3/b14-9+
InChIKeyLSTPALQUNNSDQL-NTEUORMPSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.45
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-[(E)-3-methylundec-3-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane (CID 5368016) is 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane is CCCCCCC/C=C(\C)CCC1OCCO1.
What is the InChIKey of 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane?
The InChIKey is LSTPALQUNNSDQL-NTEUORMPSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-14(2)10-11-15-16-12-13-17-15/h9,15H,3-8,10-13H2,1-2H3/b14-9+.
What are the key properties of 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane?
2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane has a molecular weight of 240.39 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylundec-3-enyl]-1,3-dioxolane is sourced from PubChem (CID 5368016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).