3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol

C22H34O4Si — CID 161331009

IUPAC3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
SMILESCC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1.OCCCO
InChIInChI=1S/C19H26O2Si.C3H8O2/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18;4-2-1-3-5/h4-9,11-14,20H,10,15-16H2,1-3H3;4-5H,1-3H2
InChIKeyVLKKULCYSUYIKQ-UHFFFAOYSA-N
MW390.60 g/mol
LogP2.31
Rot. Bonds8

About 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol

3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol (PubChem CID 161331009) has the molecular formula C22H34O4Si and a molecular weight of 390.60 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
PubChem CID161331009
Molecular FormulaC22H34O4Si
Molecular Weight390.60 g/mol
Exact Mass390.22
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
SMILESCC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1.OCCCO
InChIInChI=1S/C19H26O2Si.C3H8O2/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18;4-2-1-3-5/h4-9,11-14,20H,10,15-16H2,1-3H3;4-5H,1-3H2
InChIKeyVLKKULCYSUYIKQ-UHFFFAOYSA-N
XLogP2.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol (CID 161331009) is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol is CC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1.OCCCO.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol?
The InChIKey is VLKKULCYSUYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2Si.C3H8O2/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18;4-2-1-3-5/h4-9,11-14,20H,10,15-16H2,1-3H3;4-5H,1-3H2.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol?
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol has a molecular weight of 390.60 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol is sourced from PubChem (CID 161331009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).