(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol

C25H38O4Si — CID 71514828

IUPAC(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
SMILESCO[C@@H](C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](O)CO
InChIInChI=1S/C25H38O4Si/c1-20(16-22(28-5)17-21(27)18-26)19-29-30(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22,26-27H,16-19H2,1-5H3/t20-,21-,22-/m0/s1
InChIKeyXUZOLFANIHXSDO-FKBYEOEOSA-N
MW430.66 g/mol
LogP3.35
Rot. Bonds11

About (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol

(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol (PubChem CID 71514828) has the molecular formula C25H38O4Si and a molecular weight of 430.66 g/mol. Its IUPAC name is (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol.

Molecular Properties

Compound Name(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
PubChem CID71514828
Molecular FormulaC25H38O4Si
Molecular Weight430.66 g/mol
Exact Mass430.25
IUPAC Name(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
SMILESCO[C@@H](C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](O)CO
InChIInChI=1S/C25H38O4Si/c1-20(16-22(28-5)17-21(27)18-26)19-29-30(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22,26-27H,16-19H2,1-5H3/t20-,21-,22-/m0/s1
InChIKeyXUZOLFANIHXSDO-FKBYEOEOSA-N
XLogP3.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(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
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol?
The IUPAC name of (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol (CID 71514828) is (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol.
What is the SMILES notation for (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol?
The canonical SMILES for (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol is CO[C@@H](C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](O)CO.
What is the InChIKey of (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol?
The InChIKey is XUZOLFANIHXSDO-FKBYEOEOSA-N. The full InChI is InChI=1S/C25H38O4Si/c1-20(16-22(28-5)17-21(27)18-26)19-29-30(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22,26-27H,16-19H2,1-5H3/t20-,21-,22-/m0/s1.
What are the key properties of (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol?
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol has a molecular weight of 430.66 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol is sourced from PubChem (CID 71514828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).