(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol

C21H40O4Si — CID 11811101

IUPAC(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol
SMILESC=C(C)[C@@H](CCC#CC(O)CCO[Si](C)(C)C(C)(C)C)CC(OC)OC
InChIInChI=1S/C21H40O4Si/c1-17(2)18(16-20(23-6)24-7)12-10-11-13-19(22)14-15-25-26(8,9)21(3,4)5/h18-20,22H,1,10,12,14-16H2,2-9H3/t18-,19?/m0/s1
InChIKeyXWHZRPQDQSVMBQ-OYKVQYDMSA-N
MW384.63 g/mol
LogP4.74
Rot. Bonds11

About (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol

(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol (PubChem CID 11811101) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol.

Molecular Properties

Compound Name(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol
PubChem CID11811101
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol
SMILESC=C(C)[C@@H](CCC#CC(O)CCO[Si](C)(C)C(C)(C)C)CC(OC)OC
InChIInChI=1S/C21H40O4Si/c1-17(2)18(16-20(23-6)24-7)12-10-11-13-19(22)14-15-25-26(8,9)21(3,4)5/h18-20,22H,1,10,12,14-16H2,2-9H3/t18-,19?/m0/s1
InChIKeyXWHZRPQDQSVMBQ-OYKVQYDMSA-N
XLogP4.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-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 (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol?
The IUPAC name of (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol (CID 11811101) is (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol.
What is the SMILES notation for (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol?
The canonical SMILES for (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol is C=C(C)[C@@H](CCC#CC(O)CCO[Si](C)(C)C(C)(C)C)CC(OC)OC.
What is the InChIKey of (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol?
The InChIKey is XWHZRPQDQSVMBQ-OYKVQYDMSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-17(2)18(16-20(23-6)24-7)12-10-11-13-19(22)14-15-25-26(8,9)21(3,4)5/h18-20,22H,1,10,12,14-16H2,2-9H3/t18-,19?/m0/s1.
What are the key properties of (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol?
(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol has a molecular weight of 384.63 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethoxyethyl)-9-methyldec-9-en-4-yn-3-ol is sourced from PubChem (CID 11811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).