2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane

C15H28O3 — CID 13215973

IUPAC2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane
SMILESCO/C=C/CCCCCCCCC1(C)OCCO1
InChIInChI=1S/C15H28O3/c1-15(17-13-14-18-15)11-9-7-5-3-4-6-8-10-12-16-2/h10,12H,3-9,11,13-14H2,1-2H3/b12-10+
InChIKeyOPGOKUBPILGQQF-ZRDIBKRKSA-N
MW256.39 g/mol
LogP4.03
Rot. Bonds10

About 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane

2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane (PubChem CID 13215973) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane
PubChem CID13215973
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane
SMILESCO/C=C/CCCCCCCCC1(C)OCCO1
InChIInChI=1S/C15H28O3/c1-15(17-13-14-18-15)11-9-7-5-3-4-6-8-10-12-16-2/h10,12H,3-9,11,13-14H2,1-2H3/b12-10+
InChIKeyOPGOKUBPILGQQF-ZRDIBKRKSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane (CID 13215973) is 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane is CO/C=C/CCCCCCCCC1(C)OCCO1.
What is the InChIKey of 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is OPGOKUBPILGQQF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H28O3/c1-15(17-13-14-18-15)11-9-7-5-3-4-6-8-10-12-16-2/h10,12H,3-9,11,13-14H2,1-2H3/b12-10+.
What are the key properties of 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane?
2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 256.39 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 13215973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).