(2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol

C27H46O6Si — CID 10672850

IUPAC(2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol
SMILESCOCO[C@@](C)(CC#C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C)CCOCOCc1ccccc1
InChIInChI=1S/C27H46O6Si/c1-23(33-34(7,8)26(2,3)4)19-25(28)15-12-16-27(5,32-21-29-6)17-18-30-22-31-20-24-13-10-9-11-14-24/h9-11,13-14,23,25,28H,16-22H2,1-8H3/t23-,25+,27-/m0/s1
InChIKeyXOTZDJKUWOAYTC-RELGLDOUSA-N
MW494.75 g/mol
LogP5.50
Rot. Bonds15

About (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol

(2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol (PubChem CID 10672850) has the molecular formula C27H46O6Si and a molecular weight of 494.75 g/mol. Its IUPAC name is (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol.

Molecular Properties

Compound Name(2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol
PubChem CID10672850
Molecular FormulaC27H46O6Si
Molecular Weight494.75 g/mol
Exact Mass494.31
IUPAC Name(2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol
SMILESCOCO[C@@](C)(CC#C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C)CCOCOCc1ccccc1
InChIInChI=1S/C27H46O6Si/c1-23(33-34(7,8)26(2,3)4)19-25(28)15-12-16-27(5,32-21-29-6)17-18-30-22-31-20-24-13-10-9-11-14-24/h9-11,13-14,23,25,28H,16-22H2,1-8H3/t23-,25+,27-/m0/s1
InChIKeyXOTZDJKUWOAYTC-RELGLDOUSA-N
XLogP5.50
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.75
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol
CID 10553266
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
(2S,4S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-7-phenylmethoxyoctan-4-ol
CID 101358520
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
CID 100990652
tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
CID 68648592
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
methyl (2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-methyl-6-phenylmethoxyhexanoate
CID 15449425
methyl (2E,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-12-phenylmethoxydodeca-2,6-dien-10-ynoate
CID 101161578
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-10-(methoxymethoxy)-14-[(4-methoxyphenyl)methoxy]-2,10-dimethylpentadec-1-en-6,12-diyn-8-ol
CID 135731794
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol
CID 10342557
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761

Frequently Asked Questions

What is the IUPAC name of (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?
The IUPAC name of (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol (CID 10672850) is (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol.
What is the SMILES notation for (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?
The canonical SMILES for (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol is COCO[C@@](C)(CC#C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C)CCOCOCc1ccccc1.
What is the InChIKey of (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?
The InChIKey is XOTZDJKUWOAYTC-RELGLDOUSA-N. The full InChI is InChI=1S/C27H46O6Si/c1-23(33-34(7,8)26(2,3)4)19-25(28)15-12-16-27(5,32-21-29-6)17-18-30-22-31-20-24-13-10-9-11-14-24/h9-11,13-14,23,25,28H,16-22H2,1-8H3/t23-,25+,27-/m0/s1.
What are the key properties of (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?
(2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol has a molecular weight of 494.75 g/mol, XLogP of 5.50, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol is sourced from PubChem (CID 10672850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).