1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one

C15H26O3 — CID 21301804

IUPAC1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one
SMILESCCCCC/C=C/CCC1(CC(C)=O)OCCO1
InChIInChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-15(13-14(2)16)17-11-12-18-15/h7-8H,3-6,9-13H2,1-2H3/b8-7+
InChIKeyANPSTWWBOGOUQE-BQYQJAHWSA-N
MW254.37 g/mol
LogP3.63
Rot. Bonds9

About 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one

1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one (PubChem CID 21301804) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one
PubChem CID21301804
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one
SMILESCCCCC/C=C/CCC1(CC(C)=O)OCCO1
InChIInChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-15(13-14(2)16)17-11-12-18-15/h7-8H,3-6,9-13H2,1-2H3/b8-7+
InChIKeyANPSTWWBOGOUQE-BQYQJAHWSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one?
The IUPAC name of 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one (CID 21301804) is 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one?
The canonical SMILES for 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one is CCCCC/C=C/CCC1(CC(C)=O)OCCO1.
What is the InChIKey of 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one?
The InChIKey is ANPSTWWBOGOUQE-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-15(13-14(2)16)17-11-12-18-15/h7-8H,3-6,9-13H2,1-2H3/b8-7+.
What are the key properties of 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one?
1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one is sourced from PubChem (CID 21301804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).