(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol

C24H52O3Si2 — CID 52912234

IUPAC(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
SMILESC=CCC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](CCO)O[Si](CC)(CC)CC
InChIInChI=1S/C24H52O3Si2/c1-12-16-17-20(5)23(27-28(10,11)24(7,8)9)21(6)22(18-19-25)26-29(13-2,14-3)15-4/h12,20-23,25H,1,13-19H2,2-11H3/t20-,21-,22-,23-/m1/s1
InChIKeyIOSHDALJYZQXLA-SSGKUCQKSA-N
MW444.85 g/mol
LogP7.39
Rot. Bonds15

About (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol

(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol (PubChem CID 52912234) has the molecular formula C24H52O3Si2 and a molecular weight of 444.85 g/mol. Its IUPAC name is (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
PubChem CID52912234
Molecular FormulaC24H52O3Si2
Molecular Weight444.85 g/mol
Exact Mass444.35
IUPAC Name(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
SMILESC=CCC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](CCO)O[Si](CC)(CC)CC
InChIInChI=1S/C24H52O3Si2/c1-12-16-17-20(5)23(27-28(10,11)24(7,8)9)21(6)22(18-19-25)26-29(13-2,14-3)15-4/h12,20-23,25H,1,13-19H2,2-11H3/t20-,21-,22-,23-/m1/s1
InChIKeyIOSHDALJYZQXLA-SSGKUCQKSA-N
XLogP7.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.85
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-1-ol
CID 57352136
tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
CID 72701903
(3S,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctane-1,3,8-triol
CID 90954656
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
S-ethyl (3S,4R,5R)-3-hydroxy-4-methyl-5-triethylsilyloxynon-8-enethioate
CID 10904504
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodohept-6-en-1-ol
CID 102090845
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
[(1S,2R,3E,5R)-1-but-3-enyl-5-[tert-butyl(dimethyl)silyl]oxy-4-(N-methyl-S-phenylsulfonimidoyl)-2-propan-2-ylnona-3,8-dienoxy]-triethylsilane
CID 102146334
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-2,4,6-trimethyldecan-3-one
CID 11067932
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol?
The IUPAC name of (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol (CID 52912234) is (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol.
What is the SMILES notation for (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol?
The canonical SMILES for (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol is C=CCC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](CCO)O[Si](CC)(CC)CC.
What is the InChIKey of (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol?
The InChIKey is IOSHDALJYZQXLA-SSGKUCQKSA-N. The full InChI is InChI=1S/C24H52O3Si2/c1-12-16-17-20(5)23(27-28(10,11)24(7,8)9)21(6)22(18-19-25)26-29(13-2,14-3)15-4/h12,20-23,25H,1,13-19H2,2-11H3/t20-,21-,22-,23-/m1/s1.
What are the key properties of (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol?
(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol has a molecular weight of 444.85 g/mol, XLogP of 7.39, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol is sourced from PubChem (CID 52912234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).