(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol

C13H26O3Si — CID 101156045

IUPAC(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCOCO[C@@H](C#C[Si](C)(C)C)[C@H](O)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-13(2,3)12(14)11(16-10-15-4)8-9-17(5,6)7/h11-12,14H,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyOPEAWIGCAIBCGM-RYUDHWBXSA-N
MW258.43 g/mol
LogP2.26
Rot. Bonds4

About (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol

(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 101156045) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID101156045
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCOCO[C@@H](C#C[Si](C)(C)C)[C@H](O)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-13(2,3)12(14)11(16-10-15-4)8-9-17(5,6)7/h11-12,14H,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyOPEAWIGCAIBCGM-RYUDHWBXSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol (CID 101156045) is (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol is COCO[C@@H](C#C[Si](C)(C)C)[C@H](O)C(C)(C)C.
What is the InChIKey of (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is OPEAWIGCAIBCGM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)12(14)11(16-10-15-4)8-9-17(5,6)7/h11-12,14H,10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 258.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 101156045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).