(9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane

C15H28OSi — CID 173336787

IUPAC(9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane
SMILESC[SiH](C)OC1(C(C)(C)C)CCCC12C=CCC2
InChIInChI=1S/C15H28OSi/c1-13(2,3)15(16-17(4)5)12-8-11-14(15)9-6-7-10-14/h6,9,17H,7-8,10-12H2,1-5H3
InChIKeyARPUXLQZSCBUCB-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.29
Rot. Bonds2

About (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane

(9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane (PubChem CID 173336787) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane.

Molecular Properties

Compound Name(9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane
PubChem CID173336787
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane
SMILESC[SiH](C)OC1(C(C)(C)C)CCCC12C=CCC2
InChIInChI=1S/C15H28OSi/c1-13(2,3)15(16-17(4)5)12-8-11-14(15)9-6-7-10-14/h6,9,17H,7-8,10-12H2,1-5H3
InChIKeyARPUXLQZSCBUCB-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane?
The IUPAC name of (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane (CID 173336787) is (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane.
What is the SMILES notation for (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane?
The canonical SMILES for (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane is C[SiH](C)OC1(C(C)(C)C)CCCC12C=CCC2.
What is the InChIKey of (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane?
The InChIKey is ARPUXLQZSCBUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-13(2,3)15(16-17(4)5)12-8-11-14(15)9-6-7-10-14/h6,9,17H,7-8,10-12H2,1-5H3.
What are the key properties of (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane?
(9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane is sourced from PubChem (CID 173336787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).