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

C24H36O3Si — CID 102323148

IUPAC(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
SMILESC[C@H](CO)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H36O3Si/c1-20(19-25)18-21(26)12-11-17-27-28(24(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20-21,25-26H,11-12,17-19H2,1-4H3/t20-,21-/m0/s1
InChIKeyLDFKNUODNOFCRL-SFTDATJTSA-N
MW400.64 g/mol
LogP3.72
Rot. Bonds10

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

(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol (PubChem CID 102323148) has the molecular formula C24H36O3Si and a molecular weight of 400.64 g/mol. Its IUPAC name is (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol.

Molecular Properties

Compound Name(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
PubChem CID102323148
Molecular FormulaC24H36O3Si
Molecular Weight400.64 g/mol
Exact Mass400.24
IUPAC Name(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
SMILESC[C@H](CO)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H36O3Si/c1-20(19-25)18-21(26)12-11-17-27-28(24(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20-21,25-26H,11-12,17-19H2,1-4H3/t20-,21-/m0/s1
InChIKeyLDFKNUODNOFCRL-SFTDATJTSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
(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,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol?
The IUPAC name of (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol (CID 102323148) is (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol.
What is the SMILES notation for (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol?
The canonical SMILES for (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol is C[C@H](CO)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol?
The InChIKey is LDFKNUODNOFCRL-SFTDATJTSA-N. The full InChI is InChI=1S/C24H36O3Si/c1-20(19-25)18-21(26)12-11-17-27-28(24(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20-21,25-26H,11-12,17-19H2,1-4H3/t20-,21-/m0/s1.
What are the key properties of (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol?
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol has a molecular weight of 400.64 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol is sourced from PubChem (CID 102323148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).