(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane

C15H30OSi — CID 102092065

IUPAC(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane
SMILESC=CC[C@H]1C[C@H](C)[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C15H30OSi/c1-9-10-13-11-12(2)17(16-13,14(3,4)5)15(6,7)8/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1
InChIKeyLLAYVVWGALWMHU-STQMWFEESA-N
MW254.49 g/mol
LogP5.29
Rot. Bonds2

About (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane

(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane (PubChem CID 102092065) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane.

Molecular Properties

Compound Name(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane
PubChem CID102092065
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane
SMILESC=CC[C@H]1C[C@H](C)[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C15H30OSi/c1-9-10-13-11-12(2)17(16-13,14(3,4)5)15(6,7)8/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1
InChIKeyLLAYVVWGALWMHU-STQMWFEESA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.29
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
(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
(2R,5S)-5-methyl-2-prop-2-enyloxane
CID 101272075
2-ethyl-5-prop-2-enyloxolane
CID 91590153
(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
(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
1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
CID 142247047
5-methyl-3-prop-2-enyloxan-2-one
CID 123319317
tert-butyl 2-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetate
CID 132509998
[(2S,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 25138505

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane?
The IUPAC name of (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane (CID 102092065) is (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane.
What is the SMILES notation for (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane?
The canonical SMILES for (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane is C=CC[C@H]1C[C@H](C)[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane?
The InChIKey is LLAYVVWGALWMHU-STQMWFEESA-N. The full InChI is InChI=1S/C15H30OSi/c1-9-10-13-11-12(2)17(16-13,14(3,4)5)15(6,7)8/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane?
(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane has a molecular weight of 254.49 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane is sourced from PubChem (CID 102092065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).