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

C30H58O2Si2 — CID 18636632

IUPACtert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1C(CC[C@](C)(O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O2Si2/c1-11-18-27-25(21-22-28(27)31-34(12-2,13-3)14-4)23-24-30(8,26-19-16-15-17-20-26)32-33(9,10)29(5,6)7/h11,21,26-28H,1,12-20,22-24H2,2-10H3/t27-,28+,30+/m1/s1
InChIKeyLLYHMNAUIFKAMX-UNRZKBSHSA-N
MW506.96 g/mol
LogP10.04
Rot. Bonds13

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

tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane (PubChem CID 18636632) has the molecular formula C30H58O2Si2 and a molecular weight of 506.96 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane
PubChem CID18636632
Molecular FormulaC30H58O2Si2
Molecular Weight506.96 g/mol
Exact Mass506.40
IUPAC Nametert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1C(CC[C@](C)(O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O2Si2/c1-11-18-27-25(21-22-28(27)31-34(12-2,13-3)14-4)23-24-30(8,26-19-16-15-17-20-26)32-33(9,10)29(5,6)7/h11,21,26-28H,1,12-20,22-24H2,2-10H3/t27-,28+,30+/m1/s1
InChIKeyLLYHMNAUIFKAMX-UNRZKBSHSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane (CID 18636632) is tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane is C=CC[C@@H]1C(CC[C@](C)(O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane?
The InChIKey is LLYHMNAUIFKAMX-UNRZKBSHSA-N. The full InChI is InChI=1S/C30H58O2Si2/c1-11-18-27-25(21-22-28(27)31-34(12-2,13-3)14-4)23-24-30(8,26-19-16-15-17-20-26)32-33(9,10)29(5,6)7/h11,21,26-28H,1,12-20,22-24H2,2-10H3/t27-,28+,30+/m1/s1.
What are the key properties of tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-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-[(2S)-2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 18636632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).