[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol

C37H55NO2Si — CID 66762248

IUPAC[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol
SMILESCC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(C(C)(C)C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)CC1(CCC1)C2
InChIInChI=1S/C37H55NO2Si/c1-24(2)33-32(34(39)26-16-18-27(19-17-26)35(3,4)5)30(25-14-11-12-15-25)31-28(38-33)22-37(20-13-21-37)23-29(31)40-41(9,10)36(6,7)8/h14,16-19,24,29,34,39H,11-13,15,20-23H2,1-10H3/t29-,34?/m1/s1
InChIKeyDGSRNCPATBQOBA-QMUARQKKSA-N
MW573.94 g/mol
LogP10.33
Rot. Bonds6

About [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol

[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol (PubChem CID 66762248) has the molecular formula C37H55NO2Si and a molecular weight of 573.94 g/mol. Its IUPAC name is [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol.

Molecular Properties

Compound Name[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol
PubChem CID66762248
Molecular FormulaC37H55NO2Si
Molecular Weight573.94 g/mol
Exact Mass573.40
IUPAC Name[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol
SMILESCC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(C(C)(C)C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)CC1(CCC1)C2
InChIInChI=1S/C37H55NO2Si/c1-24(2)33-32(34(39)26-16-18-27(19-17-26)35(3,4)5)30(25-14-11-12-15-25)31-28(38-33)22-37(20-13-21-37)23-29(31)40-41(9,10)36(6,7)8/h14,16-19,24,29,34,39H,11-13,15,20-23H2,1-10H3/t29-,34?/m1/s1
InChIKeyDGSRNCPATBQOBA-QMUARQKKSA-N
XLogP10.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.94
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol?
The IUPAC name of [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol (CID 66762248) is [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol.
What is the SMILES notation for [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol?
The canonical SMILES for [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol is CC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(C(C)(C)C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)CC1(CCC1)C2.
What is the InChIKey of [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol?
The InChIKey is DGSRNCPATBQOBA-QMUARQKKSA-N. The full InChI is InChI=1S/C37H55NO2Si/c1-24(2)33-32(34(39)26-16-18-27(19-17-26)35(3,4)5)30(25-14-11-12-15-25)31-28(38-33)22-37(20-13-21-37)23-29(31)40-41(9,10)36(6,7)8/h14,16-19,24,29,34,39H,11-13,15,20-23H2,1-10H3/t29-,34?/m1/s1.
What are the key properties of [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol?
[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol has a molecular weight of 573.94 g/mol, XLogP of 10.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol is sourced from PubChem (CID 66762248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).