tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane

C24H40O2Si — CID 71527283

IUPACtert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane
SMILESC=C(C)[C@@H]1C[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)OCc2ccccc2)C1(C)C
InChIInChI=1S/C24H40O2Si/c1-18(2)20-15-21(24(20,6)7)22(17-26-27(8,9)23(3,4)5)25-16-19-13-11-10-12-14-19/h10-14,20-22H,1,15-17H2,2-9H3/t20-,21+,22-/m0/s1
InChIKeySPXILWKEUYRXTM-BDTNDASRSA-N
MW388.67 g/mol
LogP6.83
Rot. Bonds8

About tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane (PubChem CID 71527283) has the molecular formula C24H40O2Si and a molecular weight of 388.67 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane
PubChem CID71527283
Molecular FormulaC24H40O2Si
Molecular Weight388.67 g/mol
Exact Mass388.28
IUPAC Nametert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane
SMILESC=C(C)[C@@H]1C[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)OCc2ccccc2)C1(C)C
InChIInChI=1S/C24H40O2Si/c1-18(2)20-15-21(24(20,6)7)22(17-26-27(8,9)23(3,4)5)25-16-19-13-11-10-12-14-19/h10-14,20-22H,1,15-17H2,2-9H3/t20-,21+,22-/m0/s1
InChIKeySPXILWKEUYRXTM-BDTNDASRSA-N
XLogP6.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 56.83
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-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane (CID 71527283) is tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane is C=C(C)[C@@H]1C[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)OCc2ccccc2)C1(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane?
The InChIKey is SPXILWKEUYRXTM-BDTNDASRSA-N. The full InChI is InChI=1S/C24H40O2Si/c1-18(2)20-15-21(24(20,6)7)22(17-26-27(8,9)23(3,4)5)25-16-19-13-11-10-12-14-19/h10-14,20-22H,1,15-17H2,2-9H3/t20-,21+,22-/m0/s1.
What are the key properties of tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane has a molecular weight of 388.67 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]-2-phenylmethoxyethoxy]-dimethylsilane is sourced from PubChem (CID 71527283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).