(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol

C22H50O3Si2 — CID 134845348

IUPAC(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
SMILESC[C@@H](CO)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H50O3Si2/c1-17(15-23)14-18(2)20(25-27(12,13)22(7,8)9)19(3)16-24-26(10,11)21(4,5)6/h17-20,23H,14-16H2,1-13H3/t17-,18+,19+,20+/m1/s1
InChIKeyKSLGEBRTICIUEO-FYQPLNBISA-N
MW418.81 g/mol
LogP6.69
Rot. Bonds10

About (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol

(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol (PubChem CID 134845348) has the molecular formula C22H50O3Si2 and a molecular weight of 418.81 g/mol. Its IUPAC name is (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
PubChem CID134845348
Molecular FormulaC22H50O3Si2
Molecular Weight418.81 g/mol
Exact Mass418.33
IUPAC Name(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
SMILESC[C@@H](CO)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H50O3Si2/c1-17(15-23)14-18(2)20(25-27(12,13)22(7,8)9)19(3)16-24-26(10,11)21(4,5)6/h17-20,23H,14-16H2,1-13H3/t17-,18+,19+,20+/m1/s1
InChIKeyKSLGEBRTICIUEO-FYQPLNBISA-N
XLogP6.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol with MolForge

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Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
CID 11111243
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11302959
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 11673678
(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
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
CID 24776624
4-[Tert-butyl(dimethyl)silyl]peroxy-4-methylicosan-2-ol
CID 73036484

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol?
The IUPAC name of (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol (CID 134845348) is (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol is C[C@@H](CO)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol?
The InChIKey is KSLGEBRTICIUEO-FYQPLNBISA-N. The full InChI is InChI=1S/C22H50O3Si2/c1-17(15-23)14-18(2)20(25-27(12,13)22(7,8)9)19(3)16-24-26(10,11)21(4,5)6/h17-20,23H,14-16H2,1-13H3/t17-,18+,19+,20+/m1/s1.
What are the key properties of (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol?
(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol has a molecular weight of 418.81 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 134845348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).