tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane

C18H36OSi — CID 10040249

IUPACtert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane
SMILESC=C1C(C)CCC[C@]1(C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-15-11-9-12-18(6,16(15)2)13-10-14-19-20(7,8)17(3,4)5/h15H,2,9-14H2,1,3-8H3/t15?,18-/m1/s1
InChIKeyFTMGPYCAIJTHCY-KPMSDPLLSA-N
MW296.57 g/mol
LogP6.17
Rot. Bonds5

About tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane

tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane (PubChem CID 10040249) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane
PubChem CID10040249
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane
SMILESC=C1C(C)CCC[C@]1(C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-15-11-9-12-18(6,16(15)2)13-10-14-19-20(7,8)17(3,4)5/h15H,2,9-14H2,1,3-8H3/t15?,18-/m1/s1
InChIKeyFTMGPYCAIJTHCY-KPMSDPLLSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
(1-Cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
CID 44518239
Tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
CID 46185276
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2-propenyl)cyclohexyl)oxy)-, trans-
CID 182723
t-Butyl-[2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-cyclopropoxy]-dimethyl-silane
CID 552481
[2-Ethenyl-6-methyl-2-(4-methylpent-4-enyl)hept-6-enoxy]-triethylsilane
CID 10545841
tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane
CID 101186824
[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11359646
[1-(Allylcyclohexyl)methoxy]triethylsilane
CID 23021184
Cycloheptylmethylidene-(2-cyclohexylprop-2-enoxy)-ethoxysilane
CID 69595255

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane (CID 10040249) is tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane is C=C1C(C)CCC[C@]1(C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane?
The InChIKey is FTMGPYCAIJTHCY-KPMSDPLLSA-N. The full InChI is InChI=1S/C18H36OSi/c1-15-11-9-12-18(6,16(15)2)13-10-14-19-20(7,8)17(3,4)5/h15H,2,9-14H2,1,3-8H3/t15?,18-/m1/s1.
What are the key properties of tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane?
tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(1R)-1,3-dimethyl-2-methylidenecyclohexyl]propoxy]-dimethylsilane is sourced from PubChem (CID 10040249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).