triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane

C29H54O2Si2 — CID 134945474

IUPACtriethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
SMILESC#CC[C@]1(O[Si](CC)(CC)CC)C[C@@H](C(=C)C)CC(CO[Si](C(C)C)(C(C)C)C(C)C)=C1C
InChIInChI=1S/C29H54O2Si2/c1-14-18-29(31-32(15-2,16-3)17-4)20-27(22(5)6)19-28(26(29)13)21-30-33(23(7)8,24(9)10)25(11)12/h1,23-25,27H,5,15-21H2,2-4,6-13H3/t27-,29-/m0/s1
InChIKeyVNBLQXZJFSBQNG-YTMVLYRLSA-N
MW490.92 g/mol
LogP9.27
Rot. Bonds13

About triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane

triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane (PubChem CID 134945474) has the molecular formula C29H54O2Si2 and a molecular weight of 490.92 g/mol. Its IUPAC name is triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
PubChem CID134945474
Molecular FormulaC29H54O2Si2
Molecular Weight490.92 g/mol
Exact Mass490.37
IUPAC Nametriethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
SMILESC#CC[C@]1(O[Si](CC)(CC)CC)C[C@@H](C(=C)C)CC(CO[Si](C(C)C)(C(C)C)C(C)C)=C1C
InChIInChI=1S/C29H54O2Si2/c1-14-18-29(31-32(15-2,16-3)17-4)20-27(22(5)6)19-28(26(29)13)21-30-33(23(7)8,24(9)10)25(11)12/h1,23-25,27H,5,15-21H2,2-4,6-13H3/t27-,29-/m0/s1
InChIKeyVNBLQXZJFSBQNG-YTMVLYRLSA-N
XLogP9.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.92
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 14060264
Tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
CID 14635022
Tert-butyl-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
triethyl-[(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
CID 134945475
tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane
CID 25232106
tert-butyl-[(1S,5R)-3-ethynyl-2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane
CID 89472488
2-(2-Ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane
CID 91457213
(3E,5R,6R,7R,8R,9S,11E)-8,13-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9,11-pentamethyltrideca-3,11-dien-1-yn-6-ol
CID 10885864
[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane
CID 10895168
tert-butyl-[(1S,5S)-3-ethynyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11323745
tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 11329288
tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane
CID 72544993

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane (CID 134945474) is triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane is C#CC[C@]1(O[Si](CC)(CC)CC)C[C@@H](C(=C)C)CC(CO[Si](C(C)C)(C(C)C)C(C)C)=C1C.
What is the InChIKey of triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane?
The InChIKey is VNBLQXZJFSBQNG-YTMVLYRLSA-N. The full InChI is InChI=1S/C29H54O2Si2/c1-14-18-29(31-32(15-2,16-3)17-4)20-27(22(5)6)19-28(26(29)13)21-30-33(23(7)8,24(9)10)25(11)12/h1,23-25,27H,5,15-21H2,2-4,6-13H3/t27-,29-/m0/s1.
What are the key properties of triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane?
triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane has a molecular weight of 490.92 g/mol, XLogP of 9.27, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 134945474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).