(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol

C22H32O2Si — CID 15953234

IUPAC(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol
SMILESC[C@H](CCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O2Si/c1-19(13-11-12-18-23)24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-17,19,23H,11-13,18H2,1-4H3/t19-/m1/s1
InChIKeyBAHDSJNKHRTONO-LJQANCHMSA-N
MW356.58 g/mol
LogP4.11
Rot. Bonds8

About (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol

(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol (PubChem CID 15953234) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol
PubChem CID15953234
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol
SMILESC[C@H](CCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O2Si/c1-19(13-11-12-18-23)24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-17,19,23H,11-13,18H2,1-4H3/t19-/m1/s1
InChIKeyBAHDSJNKHRTONO-LJQANCHMSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
The IUPAC name of (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol (CID 15953234) is (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol.
What is the SMILES notation for (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
The canonical SMILES for (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol is C[C@H](CCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
The InChIKey is BAHDSJNKHRTONO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-19(13-11-12-18-23)24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-17,19,23H,11-13,18H2,1-4H3/t19-/m1/s1.
What are the key properties of (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol has a molecular weight of 356.58 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol is sourced from PubChem (CID 15953234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).