(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane

C17H34OSi — CID 10588998

IUPAC(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane
SMILESC=C(C)C[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C
InChIInChI=1S/C17H34OSi/c1-12(2)11-15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h13-15H,1,11H2,2-10H3/t13-,14-,15-/m1/s1
InChIKeyOHAUTLVLWRDLPO-RBSFLKMASA-N
MW282.54 g/mol
LogP5.92
Rot. Bonds2

About (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane

(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane (PubChem CID 10588998) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane.

Molecular Properties

Compound Name(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane
PubChem CID10588998
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane
SMILESC=C(C)C[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C
InChIInChI=1S/C17H34OSi/c1-12(2)11-15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h13-15H,1,11H2,2-10H3/t13-,14-,15-/m1/s1
InChIKeyOHAUTLVLWRDLPO-RBSFLKMASA-N
XLogP5.92
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 ≤ 55.92
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

(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-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane
CID 134967066
Tri(propan-2-yl)-(2-prop-1-en-2-ylpentoxy)silane
CID 135039646
4-Methoxy-2,6-dimethyl-3-trimethylsilylmethyl-1-heptene
CID 101635031
triethyl-[(E)-5-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 23331461
tert-butyl-[(3S,4R,5S)-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
CID 60090221
Triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane
CID 74042255
Tert-butyl-dimethyl-(3-methyloct-7-en-4-yloxy)silane
CID 123655657
(3R,4S,5S)-5-but-3-en-2-yl-2,2-ditert-butyl-3,4-dimethyloxasilolane
CID 10517057

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane?
The IUPAC name of (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane (CID 10588998) is (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane.
What is the SMILES notation for (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane?
The canonical SMILES for (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane is C=C(C)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,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane?
The InChIKey is OHAUTLVLWRDLPO-RBSFLKMASA-N. The full InChI is InChI=1S/C17H34OSi/c1-12(2)11-15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h13-15H,1,11H2,2-10H3/t13-,14-,15-/m1/s1.
What are the key properties of (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane?
(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane has a molecular weight of 282.54 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-(2-methylprop-2-enyl)oxasilolane is sourced from PubChem (CID 10588998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).