(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane

C17H34OSi — CID 102372352

IUPAC(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane
SMILESC=CC[C@H]1C[C@H](C(C)C)[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C17H34OSi/c1-10-11-14-12-15(13(2)3)19(18-14,16(4,5)6)17(7,8)9/h10,13-15H,1,11-12H2,2-9H3/t14-,15+/m0/s1
InChIKeyJFYNBPYPAUDOLP-LSDHHAIUSA-N
MW282.54 g/mol
LogP5.92
Rot. Bonds3

About (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane

(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane (PubChem CID 102372352) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane.

Molecular Properties

Compound Name(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane
PubChem CID102372352
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane
SMILESC=CC[C@H]1C[C@H](C(C)C)[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C17H34OSi/c1-10-11-14-12-15(13(2)3)19(18-14,16(4,5)6)17(7,8)9/h10,13-15H,1,11-12H2,2-9H3/t14-,15+/m0/s1
InChIKeyJFYNBPYPAUDOLP-LSDHHAIUSA-N
XLogP5.92
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 ≤ 55.92
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

(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane
CID 102092065
(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
CID 11033342
2-tert-butyl-5-prop-2-enyloxolane
CID 15502848
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
(4S)-2-tert-butyl-4-hexyl-6-prop-2-enyl-1,3-dioxane
CID 134854836
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole
CID 134854941
(2R,5S)-5-methyl-2-prop-2-enyloxane
CID 101272075
4-propan-2-yl-N-prop-2-enylcyclohexan-1-amine
CID 62702643
tert-butyl 2-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetate
CID 132509998
2-ethyl-5-prop-2-enyloxolane
CID 91590153
2,2,3-trimethyl-3-propan-2-yl-4-prop-2-enyloxetane
CID 91533356

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane?
The IUPAC name of (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane (CID 102372352) is (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane.
What is the SMILES notation for (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane?
The canonical SMILES for (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane is C=CC[C@H]1C[C@H](C(C)C)[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane?
The InChIKey is JFYNBPYPAUDOLP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H34OSi/c1-10-11-14-12-15(13(2)3)19(18-14,16(4,5)6)17(7,8)9/h10,13-15H,1,11-12H2,2-9H3/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane?
(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane has a molecular weight of 282.54 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane is sourced from PubChem (CID 102372352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).