(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol

C28H60O2Si — CID 88692618

IUPAC(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol
SMILESCCCCCCCCCCC[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCCCCC
InChIInChI=1S/C28H60O2Si/c1-9-11-13-15-16-17-18-19-21-23-26(29)24-27(25(3)22-20-14-12-10-2)30-31(7,8)28(4,5)6/h25-27,29H,9-24H2,1-8H3/t25-,26+,27-/m0/s1
InChIKeyGWTKPOSJQAFBBL-VJGNERBWSA-N
MW456.87 g/mol
LogP9.66
Rot. Bonds20

About (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol

(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol (PubChem CID 88692618) has the molecular formula C28H60O2Si and a molecular weight of 456.87 g/mol. Its IUPAC name is (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol.

Molecular Properties

Compound Name(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol
PubChem CID88692618
Molecular FormulaC28H60O2Si
Molecular Weight456.87 g/mol
Exact Mass456.44
IUPAC Name(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol
SMILESCCCCCCCCCCC[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCCCCC
InChIInChI=1S/C28H60O2Si/c1-9-11-13-15-16-17-18-19-21-23-26(29)24-27(25(3)22-20-14-12-10-2)30-31(7,8)28(4,5)6/h25-27,29H,9-24H2,1-8H3/t25-,26+,27-/m0/s1
InChIKeyGWTKPOSJQAFBBL-VJGNERBWSA-N
XLogP9.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.87
LogP ≤ 59.66
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

(3S,4R,9R,11S)-3-methoxy-4-methylnonacosane-9,11-diol
CID 45266798
rac-((1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexyl)methanol
CID 14172798
4-Methyldotriacontane-3,9,11-triol
CID 122706129
1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722568
2-Hexyldecane-1,3-diol
CID 57003805
(2R,3S,4R,6R,8R)-2,4,6,8,10-pentamethylundecane-1,3-diol
CID 58517080
1-(2,2-Dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
CID 143247526
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124

Frequently Asked Questions

What is the IUPAC name of (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol?
The IUPAC name of (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol (CID 88692618) is (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol.
What is the SMILES notation for (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol?
The canonical SMILES for (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol is CCCCCCCCCCC[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCCCCC.
What is the InChIKey of (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol?
The InChIKey is GWTKPOSJQAFBBL-VJGNERBWSA-N. The full InChI is InChI=1S/C28H60O2Si/c1-9-11-13-15-16-17-18-19-21-23-26(29)24-27(25(3)22-20-14-12-10-2)30-31(7,8)28(4,5)6/h25-27,29H,9-24H2,1-8H3/t25-,26+,27-/m0/s1.
What are the key properties of (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol?
(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol has a molecular weight of 456.87 g/mol, XLogP of 9.66, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol is sourced from PubChem (CID 88692618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).