[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine

C36H49NO3Si — CID 70836604

IUPAC[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine
SMILESCc1cc(OCCO[Si](C)(C)C(C)(C)C)cc(C)c1-c1cccc(COc2ccc3c(c2)CC2(CC2)C3CN)c1C
InChIInChI=1S/C36H49NO3Si/c1-24-18-30(38-16-17-40-41(7,8)35(4,5)6)19-25(2)34(24)31-11-9-10-27(26(31)3)23-39-29-12-13-32-28(20-29)21-36(14-15-36)33(32)22-37/h9-13,18-20,33H,14-17,21-23,37H2,1-8H3
InChIKeyONHOGLAYZVGPHU-UHFFFAOYSA-N
MW571.88 g/mol
LogP8.64
Rot. Bonds10

About [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine

[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine (PubChem CID 70836604) has the molecular formula C36H49NO3Si and a molecular weight of 571.88 g/mol. Its IUPAC name is [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine.

Molecular Properties

Compound Name[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine
PubChem CID70836604
Molecular FormulaC36H49NO3Si
Molecular Weight571.88 g/mol
Exact Mass571.35
IUPAC Name[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine
SMILESCc1cc(OCCO[Si](C)(C)C(C)(C)C)cc(C)c1-c1cccc(COc2ccc3c(c2)CC2(CC2)C3CN)c1C
InChIInChI=1S/C36H49NO3Si/c1-24-18-30(38-16-17-40-41(7,8)35(4,5)6)19-25(2)34(24)31-11-9-10-27(26(31)3)23-39-29-12-13-32-28(20-29)21-36(14-15-36)33(32)22-37/h9-13,18-20,33H,14-17,21-23,37H2,1-8H3
InChIKeyONHOGLAYZVGPHU-UHFFFAOYSA-N
XLogP8.64
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.88
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine?
The IUPAC name of [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine (CID 70836604) is [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine.
What is the SMILES notation for [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine?
The canonical SMILES for [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine is Cc1cc(OCCO[Si](C)(C)C(C)(C)C)cc(C)c1-c1cccc(COc2ccc3c(c2)CC2(CC2)C3CN)c1C.
What is the InChIKey of [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine?
The InChIKey is ONHOGLAYZVGPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49NO3Si/c1-24-18-30(38-16-17-40-41(7,8)35(4,5)6)19-25(2)34(24)31-11-9-10-27(26(31)3)23-39-29-12-13-32-28(20-29)21-36(14-15-36)33(32)22-37/h9-13,18-20,33H,14-17,21-23,37H2,1-8H3.
What are the key properties of [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine?
[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine has a molecular weight of 571.88 g/mol, XLogP of 8.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine is sourced from PubChem (CID 70836604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).