(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol

C23H32O3Si — CID 101435848

IUPAC(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
SMILESC=C(CO)CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-19(17-24)15-16-20(25)18-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,24-25H,1,15-18H2,2-4H3/t20-/m0/s1
InChIKeyWMEMQSKJSLBBLR-FQEVSTJZSA-N
MW384.59 g/mol
LogP3.25
Rot. Bonds9

About (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol

(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol (PubChem CID 101435848) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol.

Molecular Properties

Compound Name(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
PubChem CID101435848
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
SMILESC=C(CO)CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-19(17-24)15-16-20(25)18-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,24-25H,1,15-18H2,2-4H3/t20-/m0/s1
InChIKeyWMEMQSKJSLBBLR-FQEVSTJZSA-N
XLogP3.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol
CID 23238598
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817

Frequently Asked Questions

What is the IUPAC name of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol?
The IUPAC name of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol (CID 101435848) is (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol.
What is the SMILES notation for (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol?
The canonical SMILES for (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol is C=C(CO)CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol?
The InChIKey is WMEMQSKJSLBBLR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-19(17-24)15-16-20(25)18-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,24-25H,1,15-18H2,2-4H3/t20-/m0/s1.
What are the key properties of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol?
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol has a molecular weight of 384.59 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol is sourced from PubChem (CID 101435848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).