5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane

C16H26O2Si — CID 14936742

IUPAC5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane
SMILESCC1(C)COC2(C=C2CCCC#C[Si](C)(C)C)OC1
InChIInChI=1S/C16H26O2Si/c1-15(2)12-17-16(18-13-15)11-14(16)9-7-6-8-10-19(3,4)5/h11H,6-7,9,12-13H2,1-5H3
InChIKeyZIEHGKQIIPDQQD-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.75
Rot. Bonds3

About 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane

5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane (PubChem CID 14936742) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane
PubChem CID14936742
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane
SMILESCC1(C)COC2(C=C2CCCC#C[Si](C)(C)C)OC1
InChIInChI=1S/C16H26O2Si/c1-15(2)12-17-16(18-13-15)11-14(16)9-7-6-8-10-19(3,4)5/h11H,6-7,9,12-13H2,1-5H3
InChIKeyZIEHGKQIIPDQQD-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane?
The IUPAC name of 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane (CID 14936742) is 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane.
What is the SMILES notation for 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane?
The canonical SMILES for 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane is CC1(C)COC2(C=C2CCCC#C[Si](C)(C)C)OC1.
What is the InChIKey of 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane?
The InChIKey is ZIEHGKQIIPDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-15(2)12-17-16(18-13-15)11-14(16)9-7-6-8-10-19(3,4)5/h11H,6-7,9,12-13H2,1-5H3.
What are the key properties of 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane?
5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane has a molecular weight of 278.47 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)pent-1-ynyl-trimethylsilane is sourced from PubChem (CID 14936742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).