1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol

C13H22OSi — CID 102142056

IUPAC1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1C(CCCC)=C1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-6-8-9-10-12(11(14)7-2)13(10)15(3,4)5/h2,11-12,14H,6,8-9H2,1,3-5H3
InChIKeyHHHYCXCQAFBSRU-UHFFFAOYSA-N
MW222.40 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol

1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol (PubChem CID 102142056) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol
PubChem CID102142056
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1C(CCCC)=C1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-6-8-9-10-12(11(14)7-2)13(10)15(3,4)5/h2,11-12,14H,6,8-9H2,1,3-5H3
InChIKeyHHHYCXCQAFBSRU-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 52.97
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

1-(2,3-Dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol
CID 102142055
(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
CID 134964317
(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol
CID 58493180
1-(3-Methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol
CID 66756883
1-[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]-4-trimethylsilylbut-3-yn-2-ol
CID 66757055
(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol
CID 10850251
1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol
CID 11637694
(3R,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
CID 25147024
3-[(1R)-1-methyl-3-propan-2-yl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl]propan-1-ol
CID 101746300
4-[Tert-butyl(dimethyl)silyl]oxy-5-(3-methyl-2-prop-2-ynylcyclopent-2-en-1-yl)hex-2-yn-1-ol
CID 177806359

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol (CID 102142056) is 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol is C#CC(O)C1C(CCCC)=C1[Si](C)(C)C.
What is the InChIKey of 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
The InChIKey is HHHYCXCQAFBSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-6-8-9-10-12(11(14)7-2)13(10)15(3,4)5/h2,11-12,14H,6,8-9H2,1,3-5H3.
What are the key properties of 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol has a molecular weight of 222.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol is sourced from PubChem (CID 102142056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).