(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol

C11H22OSi — CID 11401366

IUPAC(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)(C)[C@](C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(2,3)11(4,12)8-9-13(5,6)7/h12H,1-7H3/t11-/m1/s1
InChIKeyPXFXZWWYFQCQST-LLVKDONJSA-N
MW198.38 g/mol
LogP2.66
Rot. Bonds

About (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol

(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 11401366) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID11401366
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)(C)[C@](C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(2,3)11(4,12)8-9-13(5,6)7/h12H,1-7H3/t11-/m1/s1
InChIKeyPXFXZWWYFQCQST-LLVKDONJSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635877
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 159934607
trimethyl-(2-methyl-4-trimethylsilylbut-3-yn-2-yl)silane
CID 552884
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016
(3R)-3,4,4-trimethylpent-1-yn-3-ol
CID 6994055
4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
CID 54590419
2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol
CID 141345617
6,6-dimethyl-1-trimethylsilylhepta-1,4-diyn-3-one
CID 140863657
(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
CID 129405345
4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
CID 12529654
trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol (CID 11401366) is (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol is CC(C)(C)[C@](C)(O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is PXFXZWWYFQCQST-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(2,3)11(4,12)8-9-13(5,6)7/h12H,1-7H3/t11-/m1/s1.
What are the key properties of (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol?
(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 198.38 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 11401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).