tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane

C20H38O3Si — CID 56607149

IUPACtert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCCCCC1=C[C@@H](OC2CCCCO2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-7-8-11-16-14-17(22-19-12-9-10-13-21-19)15-18(16)23-24(5,6)20(2,3)4/h14,17-19H,7-13,15H2,1-6H3/t17-,18+,19?/m1/s1
InChIKeyKRVSZRUOXYPCRO-YTYFACEESA-N
MW354.61 g/mol
LogP5.81
Rot. Bonds7

About tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 56607149) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID56607149
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nametert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCCCCC1=C[C@@H](OC2CCCCO2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-7-8-11-16-14-17(22-19-12-9-10-13-21-19)15-18(16)23-24(5,6)20(2,3)4/h14,17-19H,7-13,15H2,1-6H3/t17-,18+,19?/m1/s1
InChIKeyKRVSZRUOXYPCRO-YTYFACEESA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.81
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'}

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Related Compounds

tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
Silane, (1,1-dimethylethyl)dimethyl((2-(5-((tetrahydro-2H-pyran-2-yl)oxy)-3-pentenyl)cyclohexyl)oxy)-, (1alpha,2beta(E))-
CID 6442587
Tert-butyl-[4-[3-(2-methoxypropan-2-yloxy)cyclopenten-1-yl]butoxy]-dimethylsilane
CID 10315372
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
CID 177422864
[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 177429881
[(Z)-10-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177624180
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810
Tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12692820
tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12692822
4-[Tert-butyl(dimethyl)silyl]oxy-3-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-ol
CID 13216825

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 56607149) is tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is CCCCC1=C[C@@H](OC2CCCCO2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is KRVSZRUOXYPCRO-YTYFACEESA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-8-11-16-14-17(22-19-12-9-10-13-21-19)15-18(16)23-24(5,6)20(2,3)4/h14,17-19H,7-13,15H2,1-6H3/t17-,18+,19?/m1/s1.
What are the key properties of tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 354.61 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 56607149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).