ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate

C15H26O4 — CID 11108418

IUPACethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate
SMILESC=C[C@](C)(CCCC(C)C(=O)OCC)C1OCCO1
InChIInChI=1S/C15H26O4/c1-5-15(4,14-18-10-11-19-14)9-7-8-12(3)13(16)17-6-2/h5,12,14H,1,6-11H2,2-4H3/t12?,15-/m1/s1
InChIKeyVACVUEIYNTUUPE-WPZCJLIBSA-N
MW270.37 g/mol
LogP2.92
Rot. Bonds8

About ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate

ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate (PubChem CID 11108418) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate.

Molecular Properties

Compound Nameethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate
PubChem CID11108418
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nameethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate
SMILESC=C[C@](C)(CCCC(C)C(=O)OCC)C1OCCO1
InChIInChI=1S/C15H26O4/c1-5-15(4,14-18-10-11-19-14)9-7-8-12(3)13(16)17-6-2/h5,12,14H,1,6-11H2,2-4H3/t12?,15-/m1/s1
InChIKeyVACVUEIYNTUUPE-WPZCJLIBSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate?
The IUPAC name of ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate (CID 11108418) is ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate.
What is the SMILES notation for ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate?
The canonical SMILES for ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate is C=C[C@](C)(CCCC(C)C(=O)OCC)C1OCCO1.
What is the InChIKey of ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate?
The InChIKey is VACVUEIYNTUUPE-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-15(4,14-18-10-11-19-14)9-7-8-12(3)13(16)17-6-2/h5,12,14H,1,6-11H2,2-4H3/t12?,15-/m1/s1.
What are the key properties of ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate?
ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate has a molecular weight of 270.37 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate is sourced from PubChem (CID 11108418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).