12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol

C26H40O2Si — CID 67477526

IUPAC12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol
SMILESCC(C)(CCCCCCCCCCCO)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-26(2,22-16-8-6-4-3-5-7-9-17-23-27)29(28,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,27-28H,3-9,16-17,22-23H2,1-2H3
InChIKeyGDJHAPDAJCVYSZ-UHFFFAOYSA-N
MW412.69 g/mol
LogP5.41
Rot. Bonds14

About 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol

12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol (PubChem CID 67477526) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol.

Molecular Properties

Compound Name12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol
PubChem CID67477526
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Name12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol
SMILESCC(C)(CCCCCCCCCCCO)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-26(2,22-16-8-6-4-3-5-7-9-17-23-27)29(28,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,27-28H,3-9,16-17,22-23H2,1-2H3
InChIKeyGDJHAPDAJCVYSZ-UHFFFAOYSA-N
XLogP5.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 55.41
H-Bond Donors ≤ 52
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

(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
CID 90132776
(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
CID 90132778
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
9-[hydroxy(diphenyl)silyl]-9-methyldecan-4-amine
CID 70334258
5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
CID 89193381
hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane
CID 88918102
hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane
CID 70879858
6-phenylheptane-1,6-diol
CID 11310303
benzoic acid;6-methylheptane-1,6-diol
CID 175023836
6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
CID 89032425
4-[hydroxy(dimethyl)silyl]-4-methylpentan-1-ol
CID 87065324
hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
CID 171400301

Frequently Asked Questions

What is the IUPAC name of 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol?
The IUPAC name of 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol (CID 67477526) is 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol.
What is the SMILES notation for 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol?
The canonical SMILES for 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol is CC(C)(CCCCCCCCCCCO)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol?
The InChIKey is GDJHAPDAJCVYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-26(2,22-16-8-6-4-3-5-7-9-17-23-27)29(28,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,27-28H,3-9,16-17,22-23H2,1-2H3.
What are the key properties of 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol?
12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol has a molecular weight of 412.69 g/mol, XLogP of 5.41, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol is sourced from PubChem (CID 67477526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).