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

C27H36O2Si — CID 139964814

IUPAC(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane
SMILESC=CCOc1c(C[Si](C)(C)C2C=C(OC)c3ccccc32)cc(C)cc1C(C)(C)C
InChIInChI=1S/C27H36O2Si/c1-9-14-29-26-20(15-19(2)16-23(26)27(3,4)5)18-30(7,8)25-17-24(28-6)21-12-10-11-13-22(21)25/h9-13,15-17,25H,1,14,18H2,2-8H3
InChIKeyQAHBLWNFWZOYLE-UHFFFAOYSA-N
MW420.67 g/mol
LogP6.97
Rot. Bonds7

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

(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane (PubChem CID 139964814) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane
PubChem CID139964814
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane
SMILESC=CCOc1c(C[Si](C)(C)C2C=C(OC)c3ccccc32)cc(C)cc1C(C)(C)C
InChIInChI=1S/C27H36O2Si/c1-9-14-29-26-20(15-19(2)16-23(26)27(3,4)5)18-30(7,8)25-17-24(28-6)21-12-10-11-13-22(21)25/h9-13,15-17,25H,1,14,18H2,2-8H3
InChIKeyQAHBLWNFWZOYLE-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 77333
CID 77333
CID 54592215
CID 54592215
CID 34078
CID 34078
CID 145951633
CID 145951633
CID 145954466
CID 145954466
CID 145973118
CID 145973118
CID 145973161
CID 145973161
CID 155538711
CID 155538711
CID 100576
CID 100576
CID 4131080
CID 4131080
CID 11736600
CID 11736600
CID 110269
CID 110269

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane (CID 139964814) is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane is C=CCOc1c(C[Si](C)(C)C2C=C(OC)c3ccccc32)cc(C)cc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
The InChIKey is QAHBLWNFWZOYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2Si/c1-9-14-29-26-20(15-19(2)16-23(26)27(3,4)5)18-30(7,8)25-17-24(28-6)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-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane?
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane has a molecular weight of 420.67 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)methyl-(3-methoxy-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 139964814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).