9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol

C25H40O2Si — CID 67825501

IUPAC9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2ccc(CCCCCCCCCO)cc2c1
InChIInChI=1S/C25H40O2Si/c1-25(2,3)28(4,5)27-24-17-16-22-15-14-21(19-23(22)20-24)13-11-9-7-6-8-10-12-18-26/h14-17,19-20,26H,6-13,18H2,1-5H3
InChIKeyRNGIOUAOKWGTAF-UHFFFAOYSA-N
MW400.68 g/mol
LogP7.49
Rot. Bonds11

About 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol

9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol (PubChem CID 67825501) has the molecular formula C25H40O2Si and a molecular weight of 400.68 g/mol. Its IUPAC name is 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol.

Molecular Properties

Compound Name9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol
PubChem CID67825501
Molecular FormulaC25H40O2Si
Molecular Weight400.68 g/mol
Exact Mass400.28
IUPAC Name9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2ccc(CCCCCCCCCO)cc2c1
InChIInChI=1S/C25H40O2Si/c1-25(2,3)28(4,5)27-24-17-16-22-15-14-21(19-23(22)20-24)13-11-9-7-6-8-10-12-18-26/h14-17,19-20,26H,6-13,18H2,1-5H3
InChIKeyRNGIOUAOKWGTAF-UHFFFAOYSA-N
XLogP7.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 57.49
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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Related Compounds

[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
CID 167739118
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
CID 175118299
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
tert-butyl-dimethyl-(7-phenylnaphthalen-2-yl)oxysilane
CID 166439727
N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine
CID 134875724
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid
CID 22966399
tert-butyl-(1H-indol-6-yloxy)-dimethylsilane
CID 22250816
2-[3-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]ethanol
CID 170782164
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylethanamine
CID 167728474
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863

Frequently Asked Questions

What is the IUPAC name of 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol?
The IUPAC name of 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol (CID 67825501) is 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol.
What is the SMILES notation for 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol?
The canonical SMILES for 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol is CC(C)(C)[Si](C)(C)Oc1ccc2ccc(CCCCCCCCCO)cc2c1.
What is the InChIKey of 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol?
The InChIKey is RNGIOUAOKWGTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2Si/c1-25(2,3)28(4,5)27-24-17-16-22-15-14-21(19-23(22)20-24)13-11-9-7-6-8-10-12-18-26/h14-17,19-20,26H,6-13,18H2,1-5H3.
What are the key properties of 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol?
9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol has a molecular weight of 400.68 g/mol, XLogP of 7.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol is sourced from PubChem (CID 67825501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).