[5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane

C19H37BO3Si — CID 172787582

IUPAC[5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane
SMILESC[SiH](C)OCC1CC=C(B2OC(C)(C)C(C)(C)O2)C(C(C)(C)C)C1
InChIInChI=1S/C19H37BO3Si/c1-17(2,3)15-12-14(13-21-24(8)9)10-11-16(15)20-22-18(4,5)19(6,7)23-20/h11,14-15,24H,10,12-13H2,1-9H3
InChIKeyPCOIXQVZRZTRFP-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.62
Rot. Bonds4

About [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane

[5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane (PubChem CID 172787582) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane.

Molecular Properties

Compound Name[5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane
PubChem CID172787582
Molecular FormulaC19H37BO3Si
Molecular Weight352.40 g/mol
Exact Mass352.26
IUPAC Name[5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane
SMILESC[SiH](C)OCC1CC=C(B2OC(C)(C)C(C)(C)O2)C(C(C)(C)C)C1
InChIInChI=1S/C19H37BO3Si/c1-17(2,3)15-12-14(13-21-24(8)9)10-11-16(15)20-22-18(4,5)19(6,7)23-20/h11,14-15,24H,10,12-13H2,1-9H3
InChIKeyPCOIXQVZRZTRFP-UHFFFAOYSA-N
XLogP4.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane?
The IUPAC name of [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane (CID 172787582) is [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane.
What is the SMILES notation for [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane?
The canonical SMILES for [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane is C[SiH](C)OCC1CC=C(B2OC(C)(C)C(C)(C)O2)C(C(C)(C)C)C1.
What is the InChIKey of [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane?
The InChIKey is PCOIXQVZRZTRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-17(2,3)15-12-14(13-21-24(8)9)10-11-16(15)20-22-18(4,5)19(6,7)23-20/h11,14-15,24H,10,12-13H2,1-9H3.
What are the key properties of [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane?
[5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane has a molecular weight of 352.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methoxy-dimethylsilane is sourced from PubChem (CID 172787582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).