(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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Related Compounds

(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol
CID 101156032
N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
(3R,4R,5S,8S,9S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-bis(methoxymethoxy)-4,8,10-trimethyl-1-trimethylsilylundec-1-yn-3-ol
CID 102356585
(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
CID 56935062
(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one
CID 134859671
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
2,2,3-trimethyl-5-trimethylsilylpent-4-yn-1-amine
CID 100943521

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).