ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane

C24H50OSi2 — CID 102597575

IUPACditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
SMILESC=C(C)C([C@H]1CC[C@@H](C)C1)[Si](O[Si](C)(C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H50OSi2/c1-18(2)21(20-16-15-19(3)17-20)27(23(7,8)9,24(10,11)12)25-26(13,14)22(4,5)6/h19-21H,1,15-17H2,2-14H3/t19-,20+,21?/m1/s1
InChIKeyOTCNDGMEUZASEN-PDYHCXRVSA-N
MW410.84 g/mol
LogP8.94
Rot. Bonds5

About ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane

ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane (PubChem CID 102597575) has the molecular formula C24H50OSi2 and a molecular weight of 410.84 g/mol. Its IUPAC name is ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane.

Molecular Properties

Compound Nameditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
PubChem CID102597575
Molecular FormulaC24H50OSi2
Molecular Weight410.84 g/mol
Exact Mass410.34
IUPAC Nameditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
SMILESC=C(C)C([C@H]1CC[C@@H](C)C1)[Si](O[Si](C)(C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H50OSi2/c1-18(2)21(20-16-15-19(3)17-20)27(23(7,8)9,24(10,11)12)25-26(13,14)22(4,5)6/h19-21H,1,15-17H2,2-14H3/t19-,20+,21?/m1/s1
InChIKeyOTCNDGMEUZASEN-PDYHCXRVSA-N
XLogP8.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.84
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
The IUPAC name of ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane (CID 102597575) is ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane.
What is the SMILES notation for ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
The canonical SMILES for ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane is C=C(C)C([C@H]1CC[C@@H](C)C1)[Si](O[Si](C)(C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
The InChIKey is OTCNDGMEUZASEN-PDYHCXRVSA-N. The full InChI is InChI=1S/C24H50OSi2/c1-18(2)21(20-16-15-19(3)17-20)27(23(7,8)9,24(10,11)12)25-26(13,14)22(4,5)6/h19-21H,1,15-17H2,2-14H3/t19-,20+,21?/m1/s1.
What are the key properties of ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane has a molecular weight of 410.84 g/mol, XLogP of 8.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane is sourced from PubChem (CID 102597575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).