tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane

C18H34OSi — CID 100920320

IUPACtert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane
SMILESCCCCCCC#C[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C18H34OSi/c1-8-9-10-11-12-13-14-18(15-16(18)2)19-20(6,7)17(3,4)5/h16H,8-12,15H2,1-7H3/t16-,18+/m0/s1
InChIKeyRJGYTFINZXVSJO-FUHWJXTLSA-N
MW294.56 g/mol
LogP5.76
Rot. Bonds6

About tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane

tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane (PubChem CID 100920320) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane
PubChem CID100920320
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane
SMILESCCCCCCC#C[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C18H34OSi/c1-8-9-10-11-12-13-14-18(15-16(18)2)19-20(6,7)17(3,4)5/h16H,8-12,15H2,1-7H3/t16-,18+/m0/s1
InChIKeyRJGYTFINZXVSJO-FUHWJXTLSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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henicos-8-yne
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tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
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tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane
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(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane (CID 100920320) is tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane is CCCCCCC#C[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@H]1C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane?
The InChIKey is RJGYTFINZXVSJO-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-9-10-11-12-13-14-18(15-16(18)2)19-20(6,7)17(3,4)5/h16H,8-12,15H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane?
tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane has a molecular weight of 294.56 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane is sourced from PubChem (CID 100920320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).