(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol

C33H49NO3Si — CID 66762867

IUPAC(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol
SMILESCC(C)c1nc2c(c(C3C=CCC3)c1[C@H](O)c1ccc(CO)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C33H49NO3Si/c1-21(2)30-29(31(36)24-16-14-22(20-35)15-17-24)27(23-12-10-11-13-23)28-25(34-30)18-33(6,7)19-26(28)37-38(8,9)32(3,4)5/h10,12,14-17,21,23,26,31,35-36H,11,13,18-20H2,1-9H3/t23?,26?,31-/m1/s1
InChIKeyGUHFCBAMRDRGGL-RVRFFIBDSA-N
MW535.85 g/mol
LogP8.25
Rot. Bonds7

About (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol

(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol (PubChem CID 66762867) has the molecular formula C33H49NO3Si and a molecular weight of 535.85 g/mol. Its IUPAC name is (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol
PubChem CID66762867
Molecular FormulaC33H49NO3Si
Molecular Weight535.85 g/mol
Exact Mass535.35
IUPAC Name(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol
SMILESCC(C)c1nc2c(c(C3C=CCC3)c1[C@H](O)c1ccc(CO)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C33H49NO3Si/c1-21(2)30-29(31(36)24-16-14-22(20-35)15-17-24)27(23-12-10-11-13-23)28-25(34-30)18-33(6,7)19-26(28)37-38(8,9)32(3,4)5/h10,12,14-17,21,23,26,31,35-36H,11,13,18-20H2,1-9H3/t23?,26?,31-/m1/s1
InChIKeyGUHFCBAMRDRGGL-RVRFFIBDSA-N
XLogP8.25
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.85
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol (CID 66762867) is (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol is CC(C)c1nc2c(c(C3C=CCC3)c1[C@H](O)c1ccc(CO)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.
What is the InChIKey of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?
The InChIKey is GUHFCBAMRDRGGL-RVRFFIBDSA-N. The full InChI is InChI=1S/C33H49NO3Si/c1-21(2)30-29(31(36)24-16-14-22(20-35)15-17-24)27(23-12-10-11-13-23)28-25(34-30)18-33(6,7)19-26(28)37-38(8,9)32(3,4)5/h10,12,14-17,21,23,26,31,35-36H,11,13,18-20H2,1-9H3/t23?,26?,31-/m1/s1.
What are the key properties of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?
(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol has a molecular weight of 535.85 g/mol, XLogP of 8.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-2-en-1-yl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 66762867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).