[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane

C16H26OSi — CID 131719506

IUPAC[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC#CCC1=C(C)[C@@](O[SiH](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H26OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h1,18H,2,10-11H2,3-8H3/t16-/m1/s1
InChIKeySWBGRPVKQBLFMZ-MRXNPFEDSA-N
MW262.47 g/mol
LogP4.07
Rot. Bonds3

About [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane

[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 131719506) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID131719506
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC#CCC1=C(C)[C@@](O[SiH](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H26OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h1,18H,2,10-11H2,3-8H3/t16-/m1/s1
InChIKeySWBGRPVKQBLFMZ-MRXNPFEDSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 131719506) is [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane is C#CCC1=C(C)[C@@](O[SiH](C)C)(C(C)(C)C)CC1=C.
What is the InChIKey of [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is SWBGRPVKQBLFMZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h1,18H,2,10-11H2,3-8H3/t16-/m1/s1.
What are the key properties of [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane?
[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 262.47 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 131719506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).