(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol

C19H38O6Si — CID 102276965

IUPAC(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol
SMILESC=CC[C@]1(O)COC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(OC)OC
InChIInChI=1S/C19H38O6Si/c1-11-12-19(20)13-23-18(5,6)24-15(19)14(16(21-7)22-8)25-26(9,10)17(2,3)4/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,19+/m1/s1
InChIKeyILTFTQZWBDDOLP-VCBZYWHSSA-N
MW390.59 g/mol
LogP3.45
Rot. Bonds8

About (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol

(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol (PubChem CID 102276965) has the molecular formula C19H38O6Si and a molecular weight of 390.59 g/mol. Its IUPAC name is (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol
PubChem CID102276965
Molecular FormulaC19H38O6Si
Molecular Weight390.59 g/mol
Exact Mass390.24
IUPAC Name(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol
SMILESC=CC[C@]1(O)COC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(OC)OC
InChIInChI=1S/C19H38O6Si/c1-11-12-19(20)13-23-18(5,6)24-15(19)14(16(21-7)22-8)25-26(9,10)17(2,3)4/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,19+/m1/s1
InChIKeyILTFTQZWBDDOLP-VCBZYWHSSA-N
XLogP3.45
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol?
The IUPAC name of (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol (CID 102276965) is (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol.
What is the SMILES notation for (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol?
The canonical SMILES for (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol is C=CC[C@]1(O)COC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(OC)OC.
What is the InChIKey of (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol?
The InChIKey is ILTFTQZWBDDOLP-VCBZYWHSSA-N. The full InChI is InChI=1S/C19H38O6Si/c1-11-12-19(20)13-23-18(5,6)24-15(19)14(16(21-7)22-8)25-26(9,10)17(2,3)4/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,19+/m1/s1.
What are the key properties of (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol?
(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol has a molecular weight of 390.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol is sourced from PubChem (CID 102276965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).