(1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane

C16H28OSi — CID 131719507

IUPAC(1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane
SMILESC=CCC1=C(C)C(O[SiH3])(C(C)(C)C)C(C)(C)C1=C
InChIInChI=1S/C16H28OSi/c1-9-10-13-11(2)15(7,8)16(17-18,12(13)3)14(4,5)6/h9H,1-2,10H2,3-8,18H3
InChIKeyOWHLONHTKXEKFV-UHFFFAOYSA-N
MW264.48 g/mol
LogP3.56
Rot. Bonds3

About (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane

(1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane (PubChem CID 131719507) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane.

Molecular Properties

Compound Name(1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane
PubChem CID131719507
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane
SMILESC=CCC1=C(C)C(O[SiH3])(C(C)(C)C)C(C)(C)C1=C
InChIInChI=1S/C16H28OSi/c1-9-10-13-11(2)15(7,8)16(17-18,12(13)3)14(4,5)6/h9H,1-2,10H2,3-8,18H3
InChIKeyOWHLONHTKXEKFV-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 53.56
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-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane?
The IUPAC name of (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane (CID 131719507) is (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane.
What is the SMILES notation for (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane?
The canonical SMILES for (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane is C=CCC1=C(C)C(O[SiH3])(C(C)(C)C)C(C)(C)C1=C.
What is the InChIKey of (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane?
The InChIKey is OWHLONHTKXEKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-9-10-13-11(2)15(7,8)16(17-18,12(13)3)14(4,5)6/h9H,1-2,10H2,3-8,18H3.
What are the key properties of (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane?
(1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane has a molecular weight of 264.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-2,5,5-trimethyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane is sourced from PubChem (CID 131719507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).