(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol

C18H36O4Si — CID 139252220

IUPAC(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
SMILESC/C(=C\[C@@H](C)[C@@H](CC1(C)OCCO1)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C18H36O4Si/c1-14(13-19)11-15(2)16(12-18(6)20-9-10-21-18)22-23(7,8)17(3,4)5/h11,15-16,19H,9-10,12-13H2,1-8H3/b14-11+/t15-,16-/m1/s1
InChIKeyDRDXXVDZGROBQD-GSEJNISDSA-N
MW344.57 g/mol
LogP4.10
Rot. Bonds7

About (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol

(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol (PubChem CID 139252220) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol.

Molecular Properties

Compound Name(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
PubChem CID139252220
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
SMILESC/C(=C\[C@@H](C)[C@@H](CC1(C)OCCO1)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C18H36O4Si/c1-14(13-19)11-15(2)16(12-18(6)20-9-10-21-18)22-23(7,8)17(3,4)5/h11,15-16,19H,9-10,12-13H2,1-8H3/b14-11+/t15-,16-/m1/s1
InChIKeyDRDXXVDZGROBQD-GSEJNISDSA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
(E,4R,5R)-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ene-1,5-diol
CID 46849798
(3aS,4R,7R,7aR)-2,2-dimethyl-7-[(E)-1-trimethylsilylprop-1-en-2-yl]-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 102036846
(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
CID 134875286
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-triethylsilylethynyl)oxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 134901189
(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135027282
(2E,4R,5R,7E,9E,13S,14S)-13-(methoxymethoxy)-2,4,7-trimethyl-14-tri(propan-2-yl)silyloxyhexadeca-2,7,9,15-tetraene-1,5-diol
CID 139252214
2-(tert-Butyl-dimethyl-silanyloxy)-dodeca-4,10-dien-6-ol
CID 145927284
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-11-methyl-dodeca-4,10-dien-6-ol
CID 145927286
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-triethylsilylethynyl)oxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 11410028
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanol
CID 10426794
(3aS,4S,7R,7aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 11438428

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol?
The IUPAC name of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol (CID 139252220) is (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol.
What is the SMILES notation for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol?
The canonical SMILES for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol is C/C(=C\[C@@H](C)[C@@H](CC1(C)OCCO1)O[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol?
The InChIKey is DRDXXVDZGROBQD-GSEJNISDSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-14(13-19)11-15(2)16(12-18(6)20-9-10-21-18)22-23(7,8)17(3,4)5/h11,15-16,19H,9-10,12-13H2,1-8H3/b14-11+/t15-,16-/m1/s1.
What are the key properties of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol?
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol has a molecular weight of 344.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol is sourced from PubChem (CID 139252220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).