(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol

C31H50O5Si2 — CID 102195851

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)[C@](COCOC)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H50O5Si2/c1-12-30(8,32)31(23-34-25-33-9,36-37(10,11)28(2,3)4)24-35-38(29(5,6)7,26-19-15-13-16-20-26)27-21-17-14-18-22-27/h12-22,32H,1,23-25H2,2-11H3/t30?,31-/m0/s1
InChIKeyJNVCPICVGSVTKF-FLDQDSGZSA-N
MW558.91 g/mol
LogP5.88
Rot. Bonds13

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol (PubChem CID 102195851) has the molecular formula C31H50O5Si2 and a molecular weight of 558.91 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol
PubChem CID102195851
Molecular FormulaC31H50O5Si2
Molecular Weight558.91 g/mol
Exact Mass558.32
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)[C@](COCOC)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H50O5Si2/c1-12-30(8,32)31(23-34-25-33-9,36-37(10,11)28(2,3)4)24-35-38(29(5,6)7,26-19-15-13-16-20-26)27-21-17-14-18-22-27/h12-22,32H,1,23-25H2,2-11H3/t30?,31-/m0/s1
InChIKeyJNVCPICVGSVTKF-FLDQDSGZSA-N
XLogP5.88
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.91
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol
CID 102195848
[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol
CID 177392831
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
CID 24938591
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
CID 67767772
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
CID 101058434

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol (CID 102195851) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol is C=CC(C)(O)[C@](COCOC)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol?
The InChIKey is JNVCPICVGSVTKF-FLDQDSGZSA-N. The full InChI is InChI=1S/C31H50O5Si2/c1-12-30(8,32)31(23-34-25-33-9,36-37(10,11)28(2,3)4)24-35-38(29(5,6)7,26-19-15-13-16-20-26)27-21-17-14-18-22-27/h12-22,32H,1,23-25H2,2-11H3/t30?,31-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol has a molecular weight of 558.91 g/mol, XLogP of 5.88, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol is sourced from PubChem (CID 102195851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).