tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane

C29H58O2Si2 — CID 18636608

IUPACtert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane
SMILESC=CC[C@@H]1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCC)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C29H58O2Si2/c1-12-17-19-24(6)27(30-32(10,11)29(7,8)9)22-20-25-21-23-28(26(25)18-13-2)31-33(14-3,15-4)16-5/h13,21,24,26-28H,2,12,14-20,22-23H2,1,3-11H3/t24?,26-,27?,28+/m1/s1
InChIKeyQCRLJGBYSIFOKC-MVBOMPRFSA-N
MW494.95 g/mol
LogP9.90
Rot. Bonds16

About tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane

tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane (PubChem CID 18636608) has the molecular formula C29H58O2Si2 and a molecular weight of 494.95 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane
PubChem CID18636608
Molecular FormulaC29H58O2Si2
Molecular Weight494.95 g/mol
Exact Mass494.40
IUPAC Nametert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane
SMILESC=CC[C@@H]1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCC)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C29H58O2Si2/c1-12-17-19-24(6)27(30-32(10,11)29(7,8)9)22-20-25-21-23-28(26(25)18-13-2)31-33(14-3,15-4)16-5/h13,21,24,26-28H,2,12,14-20,22-23H2,1,3-11H3/t24?,26-,27?,28+/m1/s1
InChIKeyQCRLJGBYSIFOKC-MVBOMPRFSA-N
XLogP9.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 59.90
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-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane (CID 18636608) is tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane is C=CC[C@@H]1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCC)=CC[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane?
The InChIKey is QCRLJGBYSIFOKC-MVBOMPRFSA-N. The full InChI is InChI=1S/C29H58O2Si2/c1-12-17-19-24(6)27(30-32(10,11)29(7,8)9)22-20-25-21-23-28(26(25)18-13-2)31-33(14-3,15-4)16-5/h13,21,24,26-28H,2,12,14-20,22-23H2,1,3-11H3/t24?,26-,27?,28+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane?
tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane has a molecular weight of 494.95 g/mol, XLogP of 9.90, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane is sourced from PubChem (CID 18636608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).