(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol

C16H31ClOSi2 — CID 159934607

IUPAC(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(C)(Cl)C#C[Si](C)(C)C.CC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C8H15ClSi.C8H16OSi/c2*1-8(2,9)6-7-10(3,4)5/h1-5H3;9H,1-5H3
InChIKeyOABSBUKFYNSCAS-UHFFFAOYSA-N
MW331.05 g/mol
LogP4.52
Rot. Bonds

About (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol

(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 159934607) has the molecular formula C16H31ClOSi2 and a molecular weight of 331.05 g/mol. Its IUPAC name is (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
PubChem CID159934607
Molecular FormulaC16H31ClOSi2
Molecular Weight331.05 g/mol
Exact Mass330.16
IUPAC Name(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(C)(Cl)C#C[Si](C)(C)C.CC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C8H15ClSi.C8H16OSi/c2*1-8(2,9)6-7-10(3,4)5/h1-5H3;9H,1-5H3
InChIKeyOABSBUKFYNSCAS-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.05
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 11401366
(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
trimethyl-(2-methyl-4-trimethylsilylbut-3-yn-2-yl)silane
CID 552884
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016
CID 164681524
CID 164681524
4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
CID 54590419
7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol
CID 20541535
3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 165389065
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

Frequently Asked Questions

What is the IUPAC name of (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol (CID 159934607) is (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol is CC(C)(Cl)C#C[Si](C)(C)C.CC(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is OABSBUKFYNSCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClSi.C8H16OSi/c2*1-8(2,9)6-7-10(3,4)5/h1-5H3;9H,1-5H3.
What are the key properties of (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol?
(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 331.05 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 159934607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).