10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol

C38H65NO3Si — CID 169273518

IUPAC10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
SMILESCC(C)(C)[Si](OCCN(CCCCCCCCCCO)CCCCCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H65NO3Si/c1-38(2,3)43(36-26-18-16-19-27-36,37-28-20-17-21-29-37)42-35-32-39(30-22-12-8-4-6-10-14-24-33-40)31-23-13-9-5-7-11-15-25-34-41/h16-21,26-29,40-41H,4-15,22-25,30-35H2,1-3H3
InChIKeyKGSQBJKFKLQSRS-UHFFFAOYSA-N
MW612.03 g/mol
LogP8.09
Rot. Bonds26

About 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol

10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol (PubChem CID 169273518) has the molecular formula C38H65NO3Si and a molecular weight of 612.03 g/mol. Its IUPAC name is 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol.

Molecular Properties

Compound Name10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
PubChem CID169273518
Molecular FormulaC38H65NO3Si
Molecular Weight612.03 g/mol
Exact Mass611.47
IUPAC Name10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
SMILESCC(C)(C)[Si](OCCN(CCCCCCCCCCO)CCCCCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H65NO3Si/c1-38(2,3)43(36-26-18-16-19-27-36,37-28-20-17-21-29-37)42-35-32-39(30-22-12-8-4-6-10-14-24-33-40)31-23-13-9-5-7-11-15-25-34-41/h16-21,26-29,40-41H,4-15,22-25,30-35H2,1-3H3
InChIKeyKGSQBJKFKLQSRS-UHFFFAOYSA-N
XLogP8.09
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.03
LogP ≤ 58.09
H-Bond Donors ≤ 52
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
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(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
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594
N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide
CID 10768218

Frequently Asked Questions

What is the IUPAC name of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol?
The IUPAC name of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol (CID 169273518) is 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol.
What is the SMILES notation for 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol?
The canonical SMILES for 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol is CC(C)(C)[Si](OCCN(CCCCCCCCCCO)CCCCCCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol?
The InChIKey is KGSQBJKFKLQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H65NO3Si/c1-38(2,3)43(36-26-18-16-19-27-36,37-28-20-17-21-29-37)42-35-32-39(30-22-12-8-4-6-10-14-24-33-40)31-23-13-9-5-7-11-15-25-34-41/h16-21,26-29,40-41H,4-15,22-25,30-35H2,1-3H3.
What are the key properties of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol?
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol has a molecular weight of 612.03 g/mol, XLogP of 8.09, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol is sourced from PubChem (CID 169273518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).