(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol

C18H38O2Si2 — CID 11416603

IUPAC(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol
SMILESCC(C)[Si](OCC[C@@H](O)CC#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si2/c1-15(2)22(16(3)4,17(5)6)20-13-12-18(19)11-10-14-21(7,8)9/h15-19H,11-13H2,1-9H3/t18-/m0/s1
InChIKeyHMBZGIGRIQQTKM-SFHVURJKSA-N
MW342.67 g/mol
LogP5.20
Rot. Bonds8

About (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol

(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol (PubChem CID 11416603) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol.

Molecular Properties

Compound Name(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol
PubChem CID11416603
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol
SMILESCC(C)[Si](OCC[C@@H](O)CC#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si2/c1-15(2)22(16(3)4,17(5)6)20-13-12-18(19)11-10-14-21(7,8)9/h15-19H,11-13H2,1-9H3/t18-/m0/s1
InChIKeyHMBZGIGRIQQTKM-SFHVURJKSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-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 (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol?
The IUPAC name of (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol (CID 11416603) is (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol.
What is the SMILES notation for (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol?
The canonical SMILES for (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol is CC(C)[Si](OCC[C@@H](O)CC#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol?
The InChIKey is HMBZGIGRIQQTKM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-15(2)22(16(3)4,17(5)6)20-13-12-18(19)11-10-14-21(7,8)9/h15-19H,11-13H2,1-9H3/t18-/m0/s1.
What are the key properties of (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol?
(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol has a molecular weight of 342.67 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol is sourced from PubChem (CID 11416603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).