(4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane

C17H36O2Si — CID 152970053

IUPAC(4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane
SMILESCCCC[Si]1(C(C)(C)C)OC[C@@H](C(C)C)[C@@H](C(C)C)O1
InChIInChI=1S/C17H36O2Si/c1-9-10-11-20(17(6,7)8)18-12-15(13(2)3)16(19-20)14(4)5/h13-16H,9-12H2,1-8H3/t15-,16+,20?/m0/s1
InChIKeyUSHJXZPFJBKEDK-QRFGBVCESA-N
MW300.56 g/mol
LogP5.37
Rot. Bonds5

About (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane

(4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane (PubChem CID 152970053) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane
PubChem CID152970053
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane
SMILESCCCC[Si]1(C(C)(C)C)OC[C@@H](C(C)C)[C@@H](C(C)C)O1
InChIInChI=1S/C17H36O2Si/c1-9-10-11-20(17(6,7)8)18-12-15(13(2)3)16(19-20)14(4)5/h13-16H,9-12H2,1-8H3/t15-,16+,20?/m0/s1
InChIKeyUSHJXZPFJBKEDK-QRFGBVCESA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
The IUPAC name of (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane (CID 152970053) is (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane.
What is the SMILES notation for (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
The canonical SMILES for (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane is CCCC[Si]1(C(C)(C)C)OC[C@@H](C(C)C)[C@@H](C(C)C)O1.
What is the InChIKey of (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
The InChIKey is USHJXZPFJBKEDK-QRFGBVCESA-N. The full InChI is InChI=1S/C17H36O2Si/c1-9-10-11-20(17(6,7)8)18-12-15(13(2)3)16(19-20)14(4)5/h13-16H,9-12H2,1-8H3/t15-,16+,20?/m0/s1.
What are the key properties of (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
(4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane has a molecular weight of 300.56 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-butyl-2-tert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane is sourced from PubChem (CID 152970053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).