tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane

C30H58O2Si2 — CID 18636587

IUPACtert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
SMILESC=CC[C@]1(C)C(CCC(O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O2Si2/c1-11-24-30(8)26(21-23-28(30)32-34(12-2,13-3)14-4)20-22-27(25-18-16-15-17-19-25)31-33(9,10)29(5,6)7/h11,21,25,27-28H,1,12-20,22-24H2,2-10H3/t27?,28-,30+/m0/s1
InChIKeyKQQFPYULGWVAAX-BZMMJGTGSA-N
MW506.96 g/mol
LogP10.04
Rot. Bonds13

About tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane

tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane (PubChem CID 18636587) has the molecular formula C30H58O2Si2 and a molecular weight of 506.96 g/mol. Its IUPAC name is tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
PubChem CID18636587
Molecular FormulaC30H58O2Si2
Molecular Weight506.96 g/mol
Exact Mass506.40
IUPAC Nametert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
SMILESC=CC[C@]1(C)C(CCC(O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O2Si2/c1-11-24-30(8)26(21-23-28(30)32-34(12-2,13-3)14-4)20-22-27(25-18-16-15-17-19-25)31-33(9,10)29(5,6)7/h11,21,25,27-28H,1,12-20,22-24H2,2-10H3/t27?,28-,30+/m0/s1
InChIKeyKQQFPYULGWVAAX-BZMMJGTGSA-N
XLogP10.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.96
LogP ≤ 510.04
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'}

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Related Compounds

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
Tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane
CID 19835839
[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 10968424
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
[(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulen-9-yl]oxy-tert-butyl-dimethylsilane
CID 11090852
2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
CID 11133057
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
CID 134940845
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 134983004

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane (CID 18636587) is tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane is C=CC[C@]1(C)C(CCC(O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
The InChIKey is KQQFPYULGWVAAX-BZMMJGTGSA-N. The full InChI is InChI=1S/C30H58O2Si2/c1-11-24-30(8)26(21-23-28(30)32-34(12-2,13-3)14-4)20-22-27(25-18-16-15-17-19-25)31-33(9,10)29(5,6)7/h11,21,25,27-28H,1,12-20,22-24H2,2-10H3/t27?,28-,30+/m0/s1.
What are the key properties of tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane has a molecular weight of 506.96 g/mol, XLogP of 10.04, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 18636587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).