(1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane

C16H28OSi — CID 173332319

IUPAC(1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESC=CCC1=C(C)C(O[SiH](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H28OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h9,18H,1-2,10-11H2,3-8H3
InChIKeyBMKYSTFBXCXUCA-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.62
Rot. Bonds4

About (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane

(1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane (PubChem CID 173332319) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Name(1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane
PubChem CID173332319
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESC=CCC1=C(C)C(O[SiH](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H28OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h9,18H,1-2,10-11H2,3-8H3
InChIKeyBMKYSTFBXCXUCA-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane (CID 173332319) is (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-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 (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is BMKYSTFBXCXUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h9,18H,1-2,10-11H2,3-8H3.
What are the key properties of (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane?
(1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 173332319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).