tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane

About tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane

tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane (PubChem CID 134956994) has the molecular formula C18H39BO3Si and a molecular weight of 342.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane.

Molecular Properties

Compound Name	tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
PubChem CID	134956994
Molecular Formula	C18H39BO3Si
Molecular Weight	342.41 g/mol
Exact Mass	342.28
IUPAC Name	tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
SMILES	C[C@@H](CCCB1OC(C)(C)C(C)(C)O1)CO[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C18H39BO3Si/c1-15(14-20-23(9,10)16(2,3)4)12-11-13-19-21-17(5,6)18(7,8)22-19/h15H,11-14H2,1-10H3/t15-/m0/s1
InChIKey	SRVHOAYISSKFDN-HNNXBMFYSA-N
XLogP	5.52
TPSA	27.69 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.41
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane (CID 134956994) is tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane is C[C@@H](CCCB1OC(C)(C)C(C)(C)O1)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?

The InChIKey is SRVHOAYISSKFDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H39BO3Si/c1-15(14-20-23(9,10)16(2,3)4)12-11-13-19-21-17(5,6)18(7,8)22-19/h15H,11-14H2,1-10H3/t15-/m0/s1.

What are the key properties of tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?

tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane has a molecular weight of 342.41 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane is sourced from PubChem (CID 134956994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).