tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane

C24H52O2Si — CID 5314490

IUPACtert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane
SMILESC=C1CCCC(C)(C)C1CCC(C)(C)O.CC.CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O.C8H20OSi.C2H6/c1-11-7-6-9-13(2,3)12(11)8-10-14(4,5)15;1-7-9-10(5,6)8(2,3)4;1-2/h12,15H,1,6-10H2,2-5H3;7H2,1-6H3;1-2H3
InChIKeyUKNHNVMMYNEWEM-UHFFFAOYSA-N
MW400.76 g/mol
LogP7.97
Rot. Bonds5

About tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane

tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane (PubChem CID 5314490) has the molecular formula C24H52O2Si and a molecular weight of 400.76 g/mol. Its IUPAC name is tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane.

Molecular Properties

Compound Nametert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane
PubChem CID5314490
Molecular FormulaC24H52O2Si
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Nametert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane
SMILESC=C1CCCC(C)(C)C1CCC(C)(C)O.CC.CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O.C8H20OSi.C2H6/c1-11-7-6-9-13(2,3)12(11)8-10-14(4,5)15;1-7-9-10(5,6)8(2,3)4;1-2/h12,15H,1,6-10H2,2-5H3;7H2,1-6H3;1-2H3
InChIKeyUKNHNVMMYNEWEM-UHFFFAOYSA-N
XLogP7.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
6-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
CID 10546759
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 25053671
[(1R,2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-1-bicyclo[2.2.2]octanyl]methanol
CID 25053672
[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 74421798
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-methylidene-3-pent-4-ynylcyclohexan-1-ol
CID 135066800
t-Butyl-[2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-cyclopropoxy]-dimethyl-silane
CID 552481
1-(t-Butyldimethylsilyl)-4-(2,2-dimethyl-6-methylene-cyclohexyl)-butan-1-ol
CID 554440
2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
CID 45102243
6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol
CID 59842261

Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane?
The IUPAC name of tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane (CID 5314490) is tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane.
What is the SMILES notation for tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane?
The canonical SMILES for tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane is C=C1CCCC(C)(C)C1CCC(C)(C)O.CC.CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane?
The InChIKey is UKNHNVMMYNEWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C8H20OSi.C2H6/c1-11-7-6-9-13(2,3)12(11)8-10-14(4,5)15;1-7-9-10(5,6)8(2,3)4;1-2/h12,15H,1,6-10H2,2-5H3;7H2,1-6H3;1-2H3.
What are the key properties of tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane?
tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane has a molecular weight of 400.76 g/mol, XLogP of 7.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane is sourced from PubChem (CID 5314490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).