6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol

C22H38O2Si — CID 22319875

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCCCC(O)(c2ccccc2)CCCC1
InChIInChI=1S/C22H38O2Si/c1-21(2,3)25(4,5)24-20-15-9-11-17-22(23,18-12-10-16-20)19-13-7-6-8-14-19/h6-8,13-14,20,23H,9-12,15-18H2,1-5H3
InChIKeyTVEHSODBFGOACF-UHFFFAOYSA-N
MW362.63 g/mol
LogP6.40
Rot. Bonds3

About 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol

6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol (PubChem CID 22319875) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
PubChem CID22319875
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCCCC(O)(c2ccccc2)CCCC1
InChIInChI=1S/C22H38O2Si/c1-21(2,3)25(4,5)24-20-15-9-11-17-22(23,18-12-10-16-20)19-13-7-6-8-14-19/h6-8,13-14,20,23H,9-12,15-18H2,1-5H3
InChIKeyTVEHSODBFGOACF-UHFFFAOYSA-N
XLogP6.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol (CID 22319875) is 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol is CC(C)(C)[Si](C)(C)OC1CCCCC(O)(c2ccccc2)CCCC1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol?
The InChIKey is TVEHSODBFGOACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-21(2,3)25(4,5)24-20-15-9-11-17-22(23,18-12-10-16-20)19-13-7-6-8-14-19/h6-8,13-14,20,23H,9-12,15-18H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol?
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol has a molecular weight of 362.63 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol is sourced from PubChem (CID 22319875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).