(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol

C15H30O2Si — CID 10923626

IUPAC(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
SMILESC#C[C@@](C)(CCO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-9-15(8,10-11-16)17-18(12(2)3,13(4)5)14(6)7/h1,12-14,16H,10-11H2,2-8H3/t15-/m0/s1
InChIKeyLWVZOKGNWHBWAX-HNNXBMFYSA-N
MW270.49 g/mol
LogP3.95
Rot. Bonds7

About (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol

(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol (PubChem CID 10923626) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol.

Molecular Properties

Compound Name(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
PubChem CID10923626
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
SMILESC#C[C@@](C)(CCO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-9-15(8,10-11-16)17-18(12(2)3,13(4)5)14(6)7/h1,12-14,16H,10-11H2,2-8H3/t15-/m0/s1
InChIKeyLWVZOKGNWHBWAX-HNNXBMFYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.95
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'}

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
3-Methyl-3-[(triethylsilyl)dioxy]-butanol
CID 85604536
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-ol
CID 140148112
5-[2-Fluoroethyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol
CID 59660061
5-[3-(Fluoromethoxy)propyl-dimethylsilyl]oxy-3-methylpent-1-yn-3-ol
CID 123352331
5-[3-Fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol
CID 123384943
5-[Dibutyl-[3-(fluoromethoxy)propyl]silyl]oxy-3-methylpent-1-yn-3-ol
CID 123949834
5-[Dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol
CID 140786998
5-[3-Fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane
CID 157235981
[1,1,1,2-Tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite
CID 162424553

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol?
The IUPAC name of (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol (CID 10923626) is (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol.
What is the SMILES notation for (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol?
The canonical SMILES for (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol is C#C[C@@](C)(CCO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol?
The InChIKey is LWVZOKGNWHBWAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-15(8,10-11-16)17-18(12(2)3,13(4)5)14(6)7/h1,12-14,16H,10-11H2,2-8H3/t15-/m0/s1.
What are the key properties of (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol?
(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol has a molecular weight of 270.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol is sourced from PubChem (CID 10923626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).