(6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one

C25H38O6Si — CID 10623938

IUPAC(6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1O[C@]2(CCCCO2)[C@@]2(CCCCO2)OC1=O
InChIInChI=1S/C25H38O6Si/c1-23(2,3)32(4,5)31-20(19-13-7-6-8-14-19)21-22(26)30-25(16-10-12-18-28-25)24(29-21)15-9-11-17-27-24/h6-8,13-14,20-21H,9-12,15-18H2,1-5H3/t20-,21-,24+,25+/m0/s1
InChIKeyRNQUUXIRTGASOM-KXTAGPOFSA-N
MW462.66 g/mol
LogP5.49
Rot. Bonds4

About (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one

(6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one (PubChem CID 10623938) has the molecular formula C25H38O6Si and a molecular weight of 462.66 g/mol. Its IUPAC name is (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one.

Molecular Properties

Compound Name(6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
PubChem CID10623938
Molecular FormulaC25H38O6Si
Molecular Weight462.66 g/mol
Exact Mass462.24
IUPAC Name(6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1O[C@]2(CCCCO2)[C@@]2(CCCCO2)OC1=O
InChIInChI=1S/C25H38O6Si/c1-23(2,3)32(4,5)31-20(19-13-7-6-8-14-19)21-22(26)30-25(16-10-12-18-28-25)24(29-21)15-9-11-17-27-24/h6-8,13-14,20-21H,9-12,15-18H2,1-5H3/t20-,21-,24+,25+/m0/s1
InChIKeyRNQUUXIRTGASOM-KXTAGPOFSA-N
XLogP5.49
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
The IUPAC name of (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one (CID 10623938) is (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one.
What is the SMILES notation for (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
The canonical SMILES for (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1O[C@]2(CCCCO2)[C@@]2(CCCCO2)OC1=O.
What is the InChIKey of (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
The InChIKey is RNQUUXIRTGASOM-KXTAGPOFSA-N. The full InChI is InChI=1S/C25H38O6Si/c1-23(2,3)32(4,5)31-20(19-13-7-6-8-14-19)21-22(26)30-25(16-10-12-18-28-25)24(29-21)15-9-11-17-27-24/h6-8,13-14,20-21H,9-12,15-18H2,1-5H3/t20-,21-,24+,25+/m0/s1.
What are the key properties of (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
(6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one has a molecular weight of 462.66 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,15S)-15-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one is sourced from PubChem (CID 10623938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).