tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane

C32H62O3Si3 — CID 57252739

IUPACtert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane
SMILESC#CCC1=C(O[Si](C)(C)C(C)(C)C)CC(O[Si](CC)(CC)CC)C1C=CCC(C)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C32H62O3Si3/c1-15-20-24-32(9,35-36(10,11)12)25-21-23-28-27(22-16-2)29(33-37(13,14)31(6,7)8)26-30(28)34-38(17-3,18-4)19-5/h2,21,23,28,30H,15,17-20,22,24-26H2,1,3-14H3
InChIKeyWNKBBOHOERJBEE-UHFFFAOYSA-N
MW579.10 g/mol
LogP10.44
Rot. Bonds16

About tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane

tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane (PubChem CID 57252739) has the molecular formula C32H62O3Si3 and a molecular weight of 579.10 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane
PubChem CID57252739
Molecular FormulaC32H62O3Si3
Molecular Weight579.10 g/mol
Exact Mass578.40
IUPAC Nametert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane
SMILESC#CCC1=C(O[Si](C)(C)C(C)(C)C)CC(O[Si](CC)(CC)CC)C1C=CCC(C)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C32H62O3Si3/c1-15-20-24-32(9,35-36(10,11)12)25-21-23-28-27(22-16-2)29(33-37(13,14)31(6,7)8)26-30(28)34-38(17-3,18-4)19-5/h2,21,23,28,30H,15,17-20,22,24-26H2,1,3-14H3
InChIKeyWNKBBOHOERJBEE-UHFFFAOYSA-N
XLogP10.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.10
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane (CID 57252739) is tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane is C#CCC1=C(O[Si](C)(C)C(C)(C)C)CC(O[Si](CC)(CC)CC)C1C=CCC(C)(CCCC)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane?
The InChIKey is WNKBBOHOERJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O3Si3/c1-15-20-24-32(9,35-36(10,11)12)25-21-23-28-27(22-16-2)29(33-37(13,14)31(6,7)8)26-30(28)34-38(17-3,18-4)19-5/h2,21,23,28,30H,15,17-20,22,24-26H2,1,3-14H3.
What are the key properties of tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane?
tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane has a molecular weight of 579.10 g/mol, XLogP of 10.44, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(4-methyl-4-trimethylsilyloxyoct-1-enyl)-2-prop-2-ynyl-4-triethylsilyloxycyclopenten-1-yl]oxysilane is sourced from PubChem (CID 57252739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).