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

C29H56O2Si2 — CID 18636545

IUPACtert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
SMILESC=CC[C@@H]1C(CC[C@@H](O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C29H56O2Si2/c1-10-17-26-24(21-23-28(26)31-33(11-2,12-3)13-4)20-22-27(25-18-15-14-16-19-25)30-32(8,9)29(5,6)7/h10,21,25-28H,1,11-20,22-23H2,2-9H3/t26-,27-,28+/m1/s1
InChIKeyYIFGGKVZBMVBRY-FCEKVYKBSA-N
MW492.94 g/mol
LogP9.65
Rot. Bonds13

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

tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane (PubChem CID 18636545) has the molecular formula C29H56O2Si2 and a molecular weight of 492.94 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
PubChem CID18636545
Molecular FormulaC29H56O2Si2
Molecular Weight492.94 g/mol
Exact Mass492.38
IUPAC Nametert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
SMILESC=CC[C@@H]1C(CC[C@@H](O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C29H56O2Si2/c1-10-17-26-24(21-23-28(26)31-33(11-2,12-3)13-4)20-22-27(25-18-15-14-16-19-25)30-32(8,9)29(5,6)7/h10,21,25-28H,1,11-20,22-23H2,2-9H3/t26-,27-,28+/m1/s1
InChIKeyYIFGGKVZBMVBRY-FCEKVYKBSA-N
XLogP9.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.94
LogP ≤ 59.65
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-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane (CID 18636545) is tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane is C=CC[C@@H]1C(CC[C@@H](O[Si](C)(C)C(C)(C)C)C2CCCCC2)=CC[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
The InChIKey is YIFGGKVZBMVBRY-FCEKVYKBSA-N. The full InChI is InChI=1S/C29H56O2Si2/c1-10-17-26-24(21-23-28(26)31-33(11-2,12-3)13-4)20-22-27(25-18-15-14-16-19-25)30-32(8,9)29(5,6)7/h10,21,25-28H,1,11-20,22-23H2,2-9H3/t26-,27-,28+/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane?
tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane has a molecular weight of 492.94 g/mol, XLogP of 9.65, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 18636545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).