(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane

C21H34OSi — CID 139121340

IUPAC(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane
SMILESC=C[C@H]1C(C)(C)[C@@H](c2ccccc2)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H34OSi/c1-10-17-21(8,9)18(16-14-12-11-13-15-16)22-23(17,19(2,3)4)20(5,6)7/h10-15,17-18H,1H2,2-9H3/t17-,18+/m0/s1
InChIKeyDSRXLTGOOKUUCV-ZWKOTPCHSA-N
MW330.59 g/mol
LogP6.89
Rot. Bonds2

About (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane

(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane (PubChem CID 139121340) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane.

Molecular Properties

Compound Name(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane
PubChem CID139121340
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane
SMILESC=C[C@H]1C(C)(C)[C@@H](c2ccccc2)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H34OSi/c1-10-17-21(8,9)18(16-14-12-11-13-15-16)22-23(17,19(2,3)4)20(5,6)7/h10-15,17-18H,1H2,2-9H3/t17-,18+/m0/s1
InChIKeyDSRXLTGOOKUUCV-ZWKOTPCHSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 56.89
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 (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane?
The IUPAC name of (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane (CID 139121340) is (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane.
What is the SMILES notation for (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane?
The canonical SMILES for (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane is C=C[C@H]1C(C)(C)[C@@H](c2ccccc2)O[Si]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane?
The InChIKey is DSRXLTGOOKUUCV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H34OSi/c1-10-17-21(8,9)18(16-14-12-11-13-15-16)22-23(17,19(2,3)4)20(5,6)7/h10-15,17-18H,1H2,2-9H3/t17-,18+/m0/s1.
What are the key properties of (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane?
(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane has a molecular weight of 330.59 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane is sourced from PubChem (CID 139121340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).