tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane

C18H36OSi — CID 99771680

IUPACtert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane
SMILESC=C[C@H]1[C@H](C(C)C)CC[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-10-16-15(14(2)3)11-12-18(16,7)13-19-20(8,9)17(4,5)6/h10,14-16H,1,11-13H2,2-9H3/t15-,16-,18+/m0/s1
InChIKeyUMUKCLBQTCCTKS-XYJFISCASA-N
MW296.57 g/mol
LogP5.88
Rot. Bonds5

About tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane (PubChem CID 99771680) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane
PubChem CID99771680
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane
SMILESC=C[C@H]1[C@H](C(C)C)CC[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-10-16-15(14(2)3)11-12-18(16,7)13-19-20(8,9)17(4,5)6/h10,14-16H,1,11-13H2,2-9H3/t15-,16-,18+/m0/s1
InChIKeyUMUKCLBQTCCTKS-XYJFISCASA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.88
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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Related Compounds

[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
CID 89068574
tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane
CID 11406012
Tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
CID 46185276
[(1S,2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 57326161
1-[3-Ethenyl-2-(trimethylsilylmethyl)cyclopentyl]-3-methylbutan-1-ol
CID 134995820
1-[3-Ethenyl-2-(trimethylsilylmethyl)cyclopentyl]pentan-1-ol
CID 134996014
[(1R)-1-but-3-enyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015332
[(1R)-1-but-3-enyl-5,5-dimethyl-1,2,3,3a,4,6-hexahydropentalen-6a-id-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015486
[(1R,2R,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020042
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane (CID 99771680) is tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane is C=C[C@H]1[C@H](C(C)C)CC[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane?
The InChIKey is UMUKCLBQTCCTKS-XYJFISCASA-N. The full InChI is InChI=1S/C18H36OSi/c1-10-16-15(14(2)3)11-12-18(16,7)13-19-20(8,9)17(4,5)6/h10,14-16H,1,11-13H2,2-9H3/t15-,16-,18+/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,3S)-2-ethenyl-1-methyl-3-propan-2-ylcyclopentyl]methoxy]-dimethylsilane is sourced from PubChem (CID 99771680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).