(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane

C17H34OSi — CID 11033342

IUPAC(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
SMILESC=CC[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C17H34OSi/c1-10-11-15-14(13(2)3)12-19(18-15,16(4,5)6)17(7,8)9/h10,13-15H,1,11-12H2,2-9H3/t14-,15+/m1/s1
InChIKeyVRHNLOACMCVGOE-CABCVRRESA-N
MW282.54 g/mol
LogP5.78
Rot. Bonds3

About (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane

(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane (PubChem CID 11033342) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane.

Molecular Properties

Compound Name(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
PubChem CID11033342
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
SMILESC=CC[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C17H34OSi/c1-10-11-15-14(13(2)3)12-19(18-15,16(4,5)6)17(7,8)9/h10,13-15H,1,11-12H2,2-9H3/t14-,15+/m1/s1
InChIKeyVRHNLOACMCVGOE-CABCVRRESA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.78
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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Related Compounds

(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane
CID 102372352
(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane
CID 102092065
3-tert-butyl-2-prop-2-enyloxolane
CID 15502844
5-methoxy-6-prop-2-enyloxan-2-ol;propane-2,2-diol
CID 153365064
2-tert-butyl-5-prop-2-enyloxolane
CID 15502848
4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14023307
cis-(3S,4S)-3-ethenyl-4-propan-2-ylcyclohexan-1-one
CID 14007129
(7R)-7-prop-2-enyloxepan-2-one
CID 12914542
(2R,4S,5S,6S)-5-(iodomethyl)-2,4-di(propan-2-yl)-6-prop-2-enyl-1,3-dioxane
CID 10991758
(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane
CID 100957064
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
2-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]acetaldehyde
CID 16732244

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane?
The IUPAC name of (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane (CID 11033342) is (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane.
What is the SMILES notation for (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane?
The canonical SMILES for (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane is C=CC[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C.
What is the InChIKey of (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane?
The InChIKey is VRHNLOACMCVGOE-CABCVRRESA-N. The full InChI is InChI=1S/C17H34OSi/c1-10-11-15-14(13(2)3)12-19(18-15,16(4,5)6)17(7,8)9/h10,13-15H,1,11-12H2,2-9H3/t14-,15+/m1/s1.
What are the key properties of (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane?
(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane has a molecular weight of 282.54 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane is sourced from PubChem (CID 11033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).