12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol

C28H42O2Si — CID 168962199

IUPAC12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
SMILESC=CCCCC(O)CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O2Si/c1-5-6-11-18-25(29)19-12-7-8-17-24-30-31(28(2,3)4,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h5,9-10,13-16,20-23,25,29H,1,6-8,11-12,17-19,24H2,2-4H3
InChIKeyPYCDZAUOGAFWLX-UHFFFAOYSA-N
MW438.73 g/mol
LogP6.23
Rot. Bonds14

About 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol

12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol (PubChem CID 168962199) has the molecular formula C28H42O2Si and a molecular weight of 438.73 g/mol. Its IUPAC name is 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol.

Molecular Properties

Compound Name12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
PubChem CID168962199
Molecular FormulaC28H42O2Si
Molecular Weight438.73 g/mol
Exact Mass438.30
IUPAC Name12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
SMILESC=CCCCC(O)CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O2Si/c1-5-6-11-18-25(29)19-12-7-8-17-24-30-31(28(2,3)4,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h5,9-10,13-16,20-23,25,29H,1,6-8,11-12,17-19,24H2,2-4H3
InChIKeyPYCDZAUOGAFWLX-UHFFFAOYSA-N
XLogP6.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 56.23
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
CID 101058434
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol?
The IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol (CID 168962199) is 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol.
What is the SMILES notation for 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol?
The canonical SMILES for 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol is C=CCCCC(O)CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol?
The InChIKey is PYCDZAUOGAFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2Si/c1-5-6-11-18-25(29)19-12-7-8-17-24-30-31(28(2,3)4,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h5,9-10,13-16,20-23,25,29H,1,6-8,11-12,17-19,24H2,2-4H3.
What are the key properties of 12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol?
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol has a molecular weight of 438.73 g/mol, XLogP of 6.23, 14 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]oxydodec-1-en-6-ol is sourced from PubChem (CID 168962199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).