3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol

C11H22OSi — CID 10512181

IUPAC3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol
SMILESCC(C)(CC#C[Si](C)(C)C)CCO
InChIInChI=1S/C11H22OSi/c1-11(2,8-9-12)7-6-10-13(3,4)5/h12H,7-9H2,1-5H3
InChIKeyJFWKRPJOPCROKZ-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.67
Rot. Bonds3

About 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol

3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol (PubChem CID 10512181) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol
PubChem CID10512181
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol
SMILESCC(C)(CC#C[Si](C)(C)C)CCO
InChIInChI=1S/C11H22OSi/c1-11(2,8-9-12)7-6-10-13(3,4)5/h12H,7-9H2,1-5H3
InChIKeyJFWKRPJOPCROKZ-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.67
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

6-(Trimethylsilyl)hex-5-yn-1-ol
CID 10877568
8-Trimethylsilylocta-5,7-diyn-1-ol
CID 11298503
(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
2,2-Dimethyl-6-trimethylsilylnon-4-yn-3-ol
CID 10105719
7-(Trimethylsilyl)hept-5-yn-1-ol
CID 12853430
[1-Methyl-2-(2-trimethylsilylethynyl)cyclopropyl]methanol
CID 73813406
2-Methyl-6-trimethylsilylhex-5-yn-1-ol
CID 14141636
6-(tert-Butyldimethylsilyl)hex-5-yn-1-ol
CID 14937281
4,4-Dimethyl-1-trimethylsilyloct-1-yn-3-ol
CID 23389311
6-Tri(propan-2-yl)silylhex-5-yn-1-ol
CID 57934661
[(4S,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
CID 58581961
[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
CID 58581981

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
The IUPAC name of 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol (CID 10512181) is 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol.
What is the SMILES notation for 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
The canonical SMILES for 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol is CC(C)(CC#C[Si](C)(C)C)CCO.
What is the InChIKey of 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
The InChIKey is JFWKRPJOPCROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-11(2,8-9-12)7-6-10-13(3,4)5/h12H,7-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol has a molecular weight of 198.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-trimethylsilylhex-5-yn-1-ol is sourced from PubChem (CID 10512181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).