(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane

C17H34OSi — CID 10517057

IUPAC(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane
SMILESC=CC(C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C
InChIInChI=1S/C17H34OSi/c1-11-12(2)15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h11-15H,1H2,2-10H3/t12?,13-,14-,15+/m1/s1
InChIKeyXUFRZQHGTQIMEM-NUDNTCICSA-N
MW282.54 g/mol
LogP5.78
Rot. Bonds2

About (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane

(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane (PubChem CID 10517057) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane.

Molecular Properties

Compound Name(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane
PubChem CID10517057
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane
SMILESC=CC(C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C
InChIInChI=1S/C17H34OSi/c1-11-12(2)15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h11-15H,1H2,2-10H3/t12?,13-,14-,15+/m1/s1
InChIKeyXUFRZQHGTQIMEM-NUDNTCICSA-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'}

Analyze (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl-(1-cyclopent-3-en-1-ylbut-3-enoxy)-dimethylsilane
CID 11666003
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-prop-2-enyloxasilolane
CID 391575
5-Allyl-2,2-ditert-butyl-3,4-dimethyl-oxasilolane
CID 496488
tert-butyl-dimethyl-[(4S)-2-methyl-6-methylideneoct-7-en-4-yl]oxysilane
CID 11196461
(3-Methyl-4-methylidenecyclopentyl)oxy-tri(propan-2-yl)silane
CID 15416503
tert-Butyldimethyl[((3R,4R)-4-methyloct-7-en-3-yl)oxy]silan
CID 129889231
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
Triethyl(((4R, 5S)-5-methylnon-1-en-4-yl)oxy)silane
CID 145865205
Triethyl(((4S, 5S)-5-methylnon-1-en-4-yl)oxy)silane
CID 145865215
tert-butyl-dimethyl-[(5S,6R)-6-methyldec-9-en-5-yl]oxysilane
CID 11460312

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane?
The IUPAC name of (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane (CID 10517057) is (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane.
What is the SMILES notation for (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane?
The canonical SMILES for (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane is C=CC(C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C.
What is the InChIKey of (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane?
The InChIKey is XUFRZQHGTQIMEM-NUDNTCICSA-N. The full InChI is InChI=1S/C17H34OSi/c1-11-12(2)15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h11-15H,1H2,2-10H3/t12?,13-,14-,15+/m1/s1.
What are the key properties of (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane?
(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane 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 (3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane is sourced from PubChem (CID 10517057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).