6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol

C22H32O2Si — CID 11783240

IUPAC6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol
SMILESCC(O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O2Si/c1-19(23)13-11-12-18-24-25(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
InChIKeyAXWWHWFAYXQFLM-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.11
Rot. Bonds8

About 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol

6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol (PubChem CID 11783240) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol
PubChem CID11783240
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol
SMILESCC(O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O2Si/c1-19(23)13-11-12-18-24-25(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
InChIKeyAXWWHWFAYXQFLM-UHFFFAOYSA-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 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol (CID 11783240) is 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol is CC(O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol?
The InChIKey is AXWWHWFAYXQFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-19(23)13-11-12-18-24-25(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.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol?
6-[tert-butyl(diphenyl)silyl]oxyhexan-2-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 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ol is sourced from PubChem (CID 11783240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).