(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol

C30H48O2Si — CID 10096198

IUPAC(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
SMILESCCCCCCCCCCC[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H48O2Si/c1-5-6-7-8-9-10-11-12-15-20-27(31)25-26-32-33(30(2,3)4,28-21-16-13-17-22-28)29-23-18-14-19-24-29/h13-14,16-19,21-24,27,31H,5-12,15,20,25-26H2,1-4H3/t27-/m1/s1
InChIKeyYBDSSSXEEOTGDO-HHHXNRCGSA-N
MW468.80 g/mol
LogP7.23
Rot. Bonds16

About (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol

(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol (PubChem CID 10096198) has the molecular formula C30H48O2Si and a molecular weight of 468.80 g/mol. Its IUPAC name is (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol.

Molecular Properties

Compound Name(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
PubChem CID10096198
Molecular FormulaC30H48O2Si
Molecular Weight468.80 g/mol
Exact Mass468.34
IUPAC Name(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
SMILESCCCCCCCCCCC[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H48O2Si/c1-5-6-7-8-9-10-11-12-15-20-27(31)25-26-32-33(30(2,3)4,28-21-16-13-17-22-28)29-23-18-14-19-24-29/h13-14,16-19,21-24,27,31H,5-12,15,20,25-26H2,1-4H3/t27-/m1/s1
InChIKeyYBDSSSXEEOTGDO-HHHXNRCGSA-N
XLogP7.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 57.23
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'}

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Related Compounds

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(3R,6E,10E)-1-[tert-butyl(diphenyl)silyl]oxy-13-[(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]trideca-6,10-dien-3-ol
CID 11814564
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
CID 10030673
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol?
The IUPAC name of (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol (CID 10096198) is (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol.
What is the SMILES notation for (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol?
The canonical SMILES for (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol is CCCCCCCCCCC[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol?
The InChIKey is YBDSSSXEEOTGDO-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H48O2Si/c1-5-6-7-8-9-10-11-12-15-20-27(31)25-26-32-33(30(2,3)4,28-21-16-13-17-22-28)29-23-18-14-19-24-29/h13-14,16-19,21-24,27,31H,5-12,15,20,25-26H2,1-4H3/t27-/m1/s1.
What are the key properties of (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol?
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol has a molecular weight of 468.80 g/mol, XLogP of 7.23, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol is sourced from PubChem (CID 10096198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).