(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol

C23H44O4Si2 — CID 11775047

IUPAC(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol
SMILESC[C@H](C/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O4Si2/c1-18(27-29(10,11)22(2,3)4)14-12-15-19(24)21-20(25-23(5,6)26-21)16-13-17-28(7,8)9/h12,15,18-21,24H,14,16H2,1-11H3/b15-12-/t18-,19?,20+,21-/m1/s1
InChIKeyCCWUSAVMYPRQLQ-PIVKVPAZSA-N
MW440.77 g/mol
LogP5.49
Rot. Bonds7

About (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol

(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol (PubChem CID 11775047) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol.

Molecular Properties

Compound Name(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol
PubChem CID11775047
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol
SMILESC[C@H](C/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O4Si2/c1-18(27-29(10,11)22(2,3)4)14-12-15-19(24)21-20(25-23(5,6)26-21)16-13-17-28(7,8)9/h12,15,18-21,24H,14,16H2,1-11H3/b15-12-/t18-,19?,20+,21-/m1/s1
InChIKeyCCWUSAVMYPRQLQ-PIVKVPAZSA-N
XLogP5.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 55.49
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol?
The IUPAC name of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol (CID 11775047) is (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol.
What is the SMILES notation for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol?
The canonical SMILES for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol is C[C@H](C/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol?
The InChIKey is CCWUSAVMYPRQLQ-PIVKVPAZSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-18(27-29(10,11)22(2,3)4)14-12-15-19(24)21-20(25-23(5,6)26-21)16-13-17-28(7,8)9/h12,15,18-21,24H,14,16H2,1-11H3/b15-12-/t18-,19?,20+,21-/m1/s1.
What are the key properties of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol?
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol has a molecular weight of 440.77 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxolan-4-yl]hex-2-en-1-ol is sourced from PubChem (CID 11775047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).