1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol

C11H20OSi — CID 11805656

IUPAC1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
SMILESCCC(O)C1(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C11H20OSi/c1-5-10(12)11(6-7-11)8-9-13(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyCWTOUQTUBQCJKN-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.42
Rot. Bonds2

About 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol

1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol (PubChem CID 11805656) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
PubChem CID11805656
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
SMILESCCC(O)C1(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C11H20OSi/c1-5-10(12)11(6-7-11)8-9-13(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyCWTOUQTUBQCJKN-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.42
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

4-ethyl-4-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 131868971
1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol
CID 45094294
[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
CID 10725845
(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
CID 10909544
3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol
CID 100986302
2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane
CID 564488
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
4-propyl-4-(2-trimethylsilylethynyl)cyclohex-2-en-1-one
CID 58388150
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10955814
2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane
CID 10092051

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol?
The IUPAC name of 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol (CID 11805656) is 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol?
The canonical SMILES for 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol is CCC(O)C1(C#C[Si](C)(C)C)CC1.
What is the InChIKey of 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol?
The InChIKey is CWTOUQTUBQCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-5-10(12)11(6-7-11)8-9-13(2,3)4/h10,12H,5-7H2,1-4H3.
What are the key properties of 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol?
1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol has a molecular weight of 196.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol is sourced from PubChem (CID 11805656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).