(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol

C36H58O4Si — CID 175678466

IUPAC(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
SMILESC[C@@H](C[C@H](C)COC1CCCCO1)C[C@H](C)C[C@H](C)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H58O4Si/c1-28(25-30(3)27-39-35-20-14-15-22-38-35)24-29(2)26-31(4)34(37)21-23-40-41(36(5,6)7,32-16-10-8-11-17-32)33-18-12-9-13-19-33/h8-13,16-19,28-31,34-35,37H,14-15,20-27H2,1-7H3/t28-,29+,30+,31+,34+,35?/m1/s1
InChIKeyOHJFUFDJLVHDEV-GSJWCBSRSA-N
MW582.94 g/mol
LogP7.57
Rot. Bonds16

About (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol

(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol (PubChem CID 175678466) has the molecular formula C36H58O4Si and a molecular weight of 582.94 g/mol. Its IUPAC name is (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol.

Molecular Properties

Compound Name(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
PubChem CID175678466
Molecular FormulaC36H58O4Si
Molecular Weight582.94 g/mol
Exact Mass582.41
IUPAC Name(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
SMILESC[C@@H](C[C@H](C)COC1CCCCO1)C[C@H](C)C[C@H](C)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H58O4Si/c1-28(25-30(3)27-39-35-20-14-15-22-38-35)24-29(2)26-31(4)34(37)21-23-40-41(36(5,6)7,32-16-10-8-11-17-32)33-18-12-9-13-19-33/h8-13,16-19,28-31,34-35,37H,14-15,20-27H2,1-7H3/t28-,29+,30+,31+,34+,35?/m1/s1
InChIKeyOHJFUFDJLVHDEV-GSJWCBSRSA-N
XLogP7.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.94
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R,5R)-7-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[2-(oxan-2-yloxy)ethyl]-5-tri(propan-2-yl)silyloxyheptane-1,3-diol
CID 135836143
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol?
The IUPAC name of (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol (CID 175678466) is (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol.
What is the SMILES notation for (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol?
The canonical SMILES for (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol is C[C@@H](C[C@H](C)COC1CCCCO1)C[C@H](C)C[C@H](C)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol?
The InChIKey is OHJFUFDJLVHDEV-GSJWCBSRSA-N. The full InChI is InChI=1S/C36H58O4Si/c1-28(25-30(3)27-39-35-20-14-15-22-38-35)24-29(2)26-31(4)34(37)21-23-40-41(36(5,6)7,32-16-10-8-11-17-32)33-18-12-9-13-19-33/h8-13,16-19,28-31,34-35,37H,14-15,20-27H2,1-7H3/t28-,29+,30+,31+,34+,35?/m1/s1.
What are the key properties of (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol?
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol has a molecular weight of 582.94 g/mol, XLogP of 7.57, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol is sourced from PubChem (CID 175678466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).