tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane

C22H44OSi — CID 101011318

IUPACtert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
SMILESCCCCCCCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-20-16-17-21(18-20)19-23-24(5,6)22(2,3)4/h18,20H,7-17,19H2,1-6H3
InChIKeyJGOJALXIYDGCNU-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.88
Rot. Bonds12

About tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane

tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane (PubChem CID 101011318) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
PubChem CID101011318
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
SMILESCCCCCCCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-20-16-17-21(18-20)19-23-24(5,6)22(2,3)4/h18,20H,7-17,19H2,1-6H3
InChIKeyJGOJALXIYDGCNU-UHFFFAOYSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.88
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Phytyl tms ether
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beta-Citronellol, TBDMS derivative
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3,7-Dimethyloct-6-enoxy(triethyl)silane
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[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
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CID 11774244
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
tert-Butyldimethyl(((S)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147452

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane (CID 101011318) is tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane is CCCCCCCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane?
The InChIKey is JGOJALXIYDGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-20-16-17-21(18-20)19-23-24(5,6)22(2,3)4/h18,20H,7-17,19H2,1-6H3.
What are the key properties of tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane has a molecular weight of 352.68 g/mol, XLogP of 7.88, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 101011318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).