tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane

C18H36OSi — CID 135070895

IUPACtert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
SMILESCCCCCC1C=C(C)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-8-9-10-11-16-12-15(2)13-17(16)14-19-20(6,7)18(3,4)5/h12,16-17H,8-11,13-14H2,1-7H3
InChIKeyCSXWEXAXGBGEQE-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.17
Rot. Bonds7

About tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane

tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane (PubChem CID 135070895) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
PubChem CID135070895
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
SMILESCCCCCC1C=C(C)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-8-9-10-11-16-12-15(2)13-17(16)14-19-20(6,7)18(3,4)5/h12,16-17H,8-11,13-14H2,1-7H3
InChIKeyCSXWEXAXGBGEQE-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.17
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

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
alpha-Bisabolol, TMS derivative
CID 14486055
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
[(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
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
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-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane (CID 135070895) is tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane is CCCCCC1C=C(C)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane?
The InChIKey is CSXWEXAXGBGEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-8-9-10-11-16-12-15(2)13-17(16)14-19-20(6,7)18(3,4)5/h12,16-17H,8-11,13-14H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane?
tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane has a molecular weight of 296.57 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane is sourced from PubChem (CID 135070895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).