(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane

C17H34OSi — CID 100957061

IUPAC(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
SMILESC/C=C/[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/h10-11,13-15H,12H2,1-9H3/b11-10+/t14-,15-/m1/s1
InChIKeySFDZWIWANXSGED-UWLACMPISA-N
MW282.54 g/mol
LogP5.78
Rot. Bonds2

About (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane

(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane (PubChem CID 100957061) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane.

Molecular Properties

Compound Name(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
PubChem CID100957061
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
SMILESC/C=C/[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/h10-11,13-15H,12H2,1-9H3/b11-10+/t14-,15-/m1/s1
InChIKeySFDZWIWANXSGED-UWLACMPISA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

2-Triisobutylsilyloxyoct-3-ene
CID 5353180
tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11255807
tert-butyl-[(1R,4S)-4-ethenyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11358411
tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 53472948
tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
Tert-butyl-dimethyl-(5-methylcyclopent-2-en-1-yl)oxysilane
CID 134878754
Trimethyl-(5-methylcyclopent-2-en-1-yl)oxysilane
CID 134878979
tert-butyl-dimethyl-[(E)-2-methyldec-4-en-3-yl]oxysilane
CID 134979392
(4S,7S)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999300
(4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999409
tert-butyl-dimethyl-[(3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
CID 135044084
tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
CID 135044157

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
The IUPAC name of (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane (CID 100957061) is (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane.
What is the SMILES notation for (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
The canonical SMILES for (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane is C/C=C/[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C.
What is the InChIKey of (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
The InChIKey is SFDZWIWANXSGED-UWLACMPISA-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/h10-11,13-15H,12H2,1-9H3/b11-10+/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane has a molecular weight of 282.54 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane is sourced from PubChem (CID 100957061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).