(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol

C26H40O4Si — CID 71504117

IUPAC(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
SMILESCOCO[C@H](CCCO)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O4Si/c1-22(19-23(13-12-18-27)29-21-28-5)20-30-31(26(2,3)4,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,22-23,27H,12-13,18-21H2,1-5H3/t22-,23-/m1/s1
InChIKeyMTFGFMALUBOZPX-DHIUTWEWSA-N
MW444.69 g/mol
LogP4.35
Rot. Bonds13

About (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol

(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol (PubChem CID 71504117) has the molecular formula C26H40O4Si and a molecular weight of 444.69 g/mol. Its IUPAC name is (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol.

Molecular Properties

Compound Name(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
PubChem CID71504117
Molecular FormulaC26H40O4Si
Molecular Weight444.69 g/mol
Exact Mass444.27
IUPAC Name(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
SMILESCOCO[C@H](CCCO)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O4Si/c1-22(19-23(13-12-18-27)29-21-28-5)20-30-31(26(2,3)4,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,22-23,27H,12-13,18-21H2,1-5H3/t22-,23-/m1/s1
InChIKeyMTFGFMALUBOZPX-DHIUTWEWSA-N
XLogP4.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.69
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
(4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-5-triethylsilyloxyheptan-1-ol
CID 54753539
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol?
The IUPAC name of (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol (CID 71504117) is (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol.
What is the SMILES notation for (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol?
The canonical SMILES for (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol is COCO[C@H](CCCO)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol?
The InChIKey is MTFGFMALUBOZPX-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H40O4Si/c1-22(19-23(13-12-18-27)29-21-28-5)20-30-31(26(2,3)4,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,22-23,27H,12-13,18-21H2,1-5H3/t22-,23-/m1/s1.
What are the key properties of (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol?
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol has a molecular weight of 444.69 g/mol, XLogP of 4.35, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol is sourced from PubChem (CID 71504117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).