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

C16H26OSi — CID 11821434

IUPACtert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane
SMILESC#CCC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1=C
InChIInChI=1S/C16H26OSi/c1-9-10-14-12(2)11-15(13(14)3)17-18(7,8)16(4,5)6/h1,15H,2,10-11H2,3-8H3/t15-/m0/s1
InChIKeyURZAZQZARCKJRV-HNNXBMFYSA-N
MW262.47 g/mol
LogP4.68
Rot. Bonds3

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

tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane (PubChem CID 11821434) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane
PubChem CID11821434
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Nametert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane
SMILESC#CCC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1=C
InChIInChI=1S/C16H26OSi/c1-9-10-14-12(2)11-15(13(14)3)17-18(7,8)16(4,5)6/h1,15H,2,10-11H2,3-8H3/t15-/m0/s1
InChIKeyURZAZQZARCKJRV-HNNXBMFYSA-N
XLogP4.68
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 ≤ 54.68
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 tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane (CID 11821434) is tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane is C#CCC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1=C.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane?
The InChIKey is URZAZQZARCKJRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-9-10-14-12(2)11-15(13(14)3)17-18(7,8)16(4,5)6/h1,15H,2,10-11H2,3-8H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane has a molecular weight of 262.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 11821434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).