4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile

C14H25BNO3Si- — CID 102111315

IUPAC4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile
SMILESCC1(C)O[B-]2(C=C(CCCC#N)[Si](C)(C)O2)OC1(C)C
InChIInChI=1S/C14H25BNO3Si/c1-13(2)14(3,4)18-15(17-13)11-12(9-7-8-10-16)20(5,6)19-15/h11H,7-9H2,1-6H3/q-1
InChIKeyYEHWZGHGIXSFCV-UHFFFAOYSA-N
MW294.26 g/mol
LogP3.46
Rot. Bonds3

About 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile

4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile (PubChem CID 102111315) has the molecular formula C14H25BNO3Si- and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile.

Molecular Properties

Compound Name4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile
PubChem CID102111315
Molecular FormulaC14H25BNO3Si-
Molecular Weight294.26 g/mol
Exact Mass294.17
IUPAC Name4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile
SMILESCC1(C)O[B-]2(C=C(CCCC#N)[Si](C)(C)O2)OC1(C)C
InChIInChI=1S/C14H25BNO3Si/c1-13(2)14(3,4)18-15(17-13)11-12(9-7-8-10-16)20(5,6)19-15/h11H,7-9H2,1-6H3/q-1
InChIKeyYEHWZGHGIXSFCV-UHFFFAOYSA-N
XLogP3.46
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile with MolForge

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Related Compounds

(E)-5-[dimethyl(propan-2-yloxy)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 24850805
(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 56945596
(E)-5-[chloro(dimethyl)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 102111322
(Z)-5-[chloro(dimethyl)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 135007772
(E)-6-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 135008076
(Z)-5-[dimethyl(propan-2-yloxy)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 135062204
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 10933004

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile?
The IUPAC name of 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile (CID 102111315) is 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile.
What is the SMILES notation for 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile?
The canonical SMILES for 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile is CC1(C)O[B-]2(C=C(CCCC#N)[Si](C)(C)O2)OC1(C)C.
What is the InChIKey of 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile?
The InChIKey is YEHWZGHGIXSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BNO3Si/c1-13(2)14(3,4)18-15(17-13)11-12(9-7-8-10-16)20(5,6)19-15/h11H,7-9H2,1-6H3/q-1.
What are the key properties of 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile?
4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile has a molecular weight of 294.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,7,7,8,8-hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile is sourced from PubChem (CID 102111315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).