tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane

C20H42O2Si2 — CID 134873799

IUPACtert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
SMILESCC(C)[Si](OC#C[C@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O2Si2/c1-16(2)24(17(3)4,18(5)6)21-14-13-19(7)15-22-23(11,12)20(8,9)10/h16-19H,15H2,1-12H3/t19-/m0/s1
InChIKeyDUHHFBXQDYIIMC-IBGZPJMESA-N
MW370.73 g/mol
LogP6.80
Rot. Bonds7

About tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane

tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane (PubChem CID 134873799) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
PubChem CID134873799
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Nametert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
SMILESCC(C)[Si](OC#C[C@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O2Si2/c1-16(2)24(17(3)4,18(5)6)21-14-13-19(7)15-22-23(11,12)20(8,9)10/h16-19H,15H2,1-12H3/t19-/m0/s1
InChIKeyDUHHFBXQDYIIMC-IBGZPJMESA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
tert-Butyl(dimethyl){[4-(trimethylsilyl)but-3-yn-1-yl]oxy}silane
CID 13679439
2-Triisobutylsilyloxybut-3-yne
CID 531258
3-Triisobutyloxyhex-4-yne
CID 531261
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)isobutoxy-
CID 91733610
1,3-Propanediol, 2-methyl, bis-DMTBS
CID 53737516
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane (CID 134873799) is tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane is CC(C)[Si](OC#C[C@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane?
The InChIKey is DUHHFBXQDYIIMC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-16(2)24(17(3)4,18(5)6)21-14-13-19(7)15-22-23(11,12)20(8,9)10/h16-19H,15H2,1-12H3/t19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane?
tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane has a molecular weight of 370.73 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane is sourced from PubChem (CID 134873799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).