(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol

C26H56O4Si — CID 158214016

IUPAC(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol
SMILESCC[C@@H](C)[C@@H](OC)[C@@H](C)[C@H](O)CC[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC
InChIInChI=1S/C26H56O4Si/c1-14-19(4)25(29-11)21(6)22(27)16-15-20(5)24(28-10)17-23(18(2)3)30-31(12,13)26(7,8)9/h18-25,27H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-/m1/s1
InChIKeyGCKNMNNQPGBPHY-YYVBKRFLSA-N
MW460.82 g/mol
LogP6.91
Rot. Bonds15

About (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol

(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol (PubChem CID 158214016) has the molecular formula C26H56O4Si and a molecular weight of 460.82 g/mol. Its IUPAC name is (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol.

Molecular Properties

Compound Name(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol
PubChem CID158214016
Molecular FormulaC26H56O4Si
Molecular Weight460.82 g/mol
Exact Mass460.39
IUPAC Name(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol
SMILESCC[C@@H](C)[C@@H](OC)[C@@H](C)[C@H](O)CC[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC
InChIInChI=1S/C26H56O4Si/c1-14-19(4)25(29-11)21(6)22(27)16-15-20(5)24(28-10)17-23(18(2)3)30-31(12,13)26(7,8)9/h18-25,27H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-/m1/s1
InChIKeyGCKNMNNQPGBPHY-YYVBKRFLSA-N
XLogP6.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.82
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol with MolForge

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Related Compounds

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
CID 11750793
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
CID 24776624
(4R,6R,8S,10S)-8-methoxy-6-methyl-1-trimethylsilyltridec-1-yne-4,10-diol
CID 44477845
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(5s,7s,9r)-9,13,13,14,14-Pentamethyl-5-propyl-2,4,12-trioxa-13-silapentadecan-7-ol
CID 129747827
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
CID 132501473
(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
CID 134838175
(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
CID 134845348
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
CID 134857526

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol?
The IUPAC name of (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol (CID 158214016) is (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol.
What is the SMILES notation for (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol?
The canonical SMILES for (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol is CC[C@@H](C)[C@@H](OC)[C@@H](C)[C@H](O)CC[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC.
What is the InChIKey of (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol?
The InChIKey is GCKNMNNQPGBPHY-YYVBKRFLSA-N. The full InChI is InChI=1S/C26H56O4Si/c1-14-19(4)25(29-11)21(6)22(27)16-15-20(5)24(28-10)17-23(18(2)3)30-31(12,13)26(7,8)9/h18-25,27H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-/m1/s1.
What are the key properties of (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol?
(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol has a molecular weight of 460.82 g/mol, XLogP of 6.91, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol is sourced from PubChem (CID 158214016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).