(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane

C27H36O3Si — CID 139964917

IUPAC(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane
SMILESC=CCOc1c(C[Si](C)(C)C2C=C(OC)c3ccccc32)cc(OC)cc1C(C)(C)C
InChIInChI=1S/C27H36O3Si/c1-9-14-30-26-19(15-20(28-5)16-23(26)27(2,3)4)18-31(7,8)25-17-24(29-6)21-12-10-11-13-22(21)25/h9-13,15-17,25H,1,14,18H2,2-8H3
InChIKeyXAHWKWKLICYXDC-UHFFFAOYSA-N
MW436.67 g/mol
LogP6.67
Rot. Bonds8

About (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane

(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane (PubChem CID 139964917) has the molecular formula C27H36O3Si and a molecular weight of 436.67 g/mol. Its IUPAC name is (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane
PubChem CID139964917
Molecular FormulaC27H36O3Si
Molecular Weight436.67 g/mol
Exact Mass436.24
IUPAC Name(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane
SMILESC=CCOc1c(C[Si](C)(C)C2C=C(OC)c3ccccc32)cc(OC)cc1C(C)(C)C
InChIInChI=1S/C27H36O3Si/c1-9-14-30-26-19(15-20(28-5)16-23(26)27(2,3)4)18-31(7,8)25-17-24(29-6)21-12-10-11-13-22(21)25/h9-13,15-17,25H,1,14,18H2,2-8H3
InChIKeyXAHWKWKLICYXDC-UHFFFAOYSA-N
XLogP6.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane (CID 139964917) is (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane is C=CCOc1c(C[Si](C)(C)C2C=C(OC)c3ccccc32)cc(OC)cc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
The InChIKey is XAHWKWKLICYXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O3Si/c1-9-14-30-26-19(15-20(28-5)16-23(26)27(2,3)4)18-31(7,8)25-17-24(29-6)21-12-10-11-13-22(21)25/h9-13,15-17,25H,1,14,18H2,2-8H3.
What are the key properties of (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane has a molecular weight of 436.67 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 139964917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).