5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol

C15H32O5Si — CID 101010604

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol
SMILESC=CC(O)C(CO[Si](C)(C)C(C)(C)C)OCOCCOC
InChIInChI=1S/C15H32O5Si/c1-8-13(16)14(19-12-18-10-9-17-5)11-20-21(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3
InChIKeyZLMWPHCDKCKLFE-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.56
Rot. Bonds11

About 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol

5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol (PubChem CID 101010604) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol
PubChem CID101010604
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol
SMILESC=CC(O)C(CO[Si](C)(C)C(C)(C)C)OCOCCOC
InChIInChI=1S/C15H32O5Si/c1-8-13(16)14(19-12-18-10-9-17-5)11-20-21(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3
InChIKeyZLMWPHCDKCKLFE-UHFFFAOYSA-N
XLogP2.56
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.56
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

2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
CID 134842571
(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol
CID 134855216
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
CID 134863284
6-[Tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol
CID 134880407
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901054
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901055
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
CID 139252209
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol (CID 101010604) is 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol is C=CC(O)C(CO[Si](C)(C)C(C)(C)C)OCOCCOC.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol?
The InChIKey is ZLMWPHCDKCKLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-8-13(16)14(19-12-18-10-9-17-5)11-20-21(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol?
5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol has a molecular weight of 320.50 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol is sourced from PubChem (CID 101010604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).