(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane

C17H27ClOSi — CID 69230383

IUPAC(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(Cl)CC
InChIInChI=1S/C17H27ClOSi/c1-8-10-19-16-14(17(4,5)6)11-13(3)12-15(16)20(7,18)9-2/h8,11-12H,1,9-10H2,2-7H3
InChIKeyQMVNDUCLTVGWGD-UHFFFAOYSA-N
MW310.94 g/mol
LogP4.90
Rot. Bonds5

About (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane

(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane (PubChem CID 69230383) has the molecular formula C17H27ClOSi and a molecular weight of 310.94 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
PubChem CID69230383
Molecular FormulaC17H27ClOSi
Molecular Weight310.94 g/mol
Exact Mass310.15
IUPAC Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(Cl)CC
InChIInChI=1S/C17H27ClOSi/c1-8-10-19-16-14(17(4,5)6)11-13(3)12-15(16)20(7,18)9-2/h8,11-12H,1,9-10H2,2-7H3
InChIKeyQMVNDUCLTVGWGD-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.94
LogP ≤ 54.90
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane?
The IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane (CID 69230383) is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane.
What is the SMILES notation for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane?
The canonical SMILES for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane is C=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(Cl)CC.
What is the InChIKey of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane?
The InChIKey is QMVNDUCLTVGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClOSi/c1-8-10-19-16-14(17(4,5)6)11-13(3)12-15(16)20(7,18)9-2/h8,11-12H,1,9-10H2,2-7H3.
What are the key properties of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane?
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane has a molecular weight of 310.94 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane is sourced from PubChem (CID 69230383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).