12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol

C28H44O2Si — CID 11015684

IUPAC12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h12-17,20-23,29H,4-11,18-19,24-25H2,1-3H3
InChIKeyLMFAOCTYHTVDMU-UHFFFAOYSA-N
MW440.74 g/mol
LogP6.46
Rot. Bonds15

About 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol

12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol (PubChem CID 11015684) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol.

Molecular Properties

Compound Name12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
PubChem CID11015684
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Name12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h12-17,20-23,29H,4-11,18-19,24-25H2,1-3H3
InChIKeyLMFAOCTYHTVDMU-UHFFFAOYSA-N
XLogP6.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.46
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

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
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol?
The IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol (CID 11015684) is 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol.
What is the SMILES notation for 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol?
The canonical SMILES for 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol is CC(C)(C)[Si](OCCCCCCCCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol?
The InChIKey is LMFAOCTYHTVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h12-17,20-23,29H,4-11,18-19,24-25H2,1-3H3.
What are the key properties of 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol?
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol has a molecular weight of 440.74 g/mol, XLogP of 6.46, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol is sourced from PubChem (CID 11015684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).