4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one

C16H24O3 — CID 164683140

IUPAC4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1(CC/C=C(\C)CCC=C(C)C)COC(=O)O1
InChIInChI=1S/C16H24O3/c1-5-16(12-18-15(17)19-16)11-7-10-14(4)9-6-8-13(2)3/h5,8,10H,1,6-7,9,11-12H2,2-4H3/b14-10+
InChIKeyGTYPUHJSXDUVIH-GXDHUFHOSA-N
MW264.36 g/mol
LogP4.55
Rot. Bonds7

About 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one

4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one (PubChem CID 164683140) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one
PubChem CID164683140
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1(CC/C=C(\C)CCC=C(C)C)COC(=O)O1
InChIInChI=1S/C16H24O3/c1-5-16(12-18-15(17)19-16)11-7-10-14(4)9-6-8-13(2)3/h5,8,10H,1,6-7,9,11-12H2,2-4H3/b14-10+
InChIKeyGTYPUHJSXDUVIH-GXDHUFHOSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one (CID 164683140) is 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one is C=CC1(CC/C=C(\C)CCC=C(C)C)COC(=O)O1.
What is the InChIKey of 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one?
The InChIKey is GTYPUHJSXDUVIH-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-16(12-18-15(17)19-16)11-7-10-14(4)9-6-8-13(2)3/h5,8,10H,1,6-7,9,11-12H2,2-4H3/b14-10+.
What are the key properties of 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one?
4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one has a molecular weight of 264.36 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 164683140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).