(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol

C12H20OSi — CID 101388624

IUPAC(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#C[C@@H](O)C1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,12-13H,4-6,8H2,1-3H3/t12-/m1/s1
InChIKeyMTPBZHYOYJKEHT-GFCCVEGCSA-N
MW208.38 g/mol
LogP2.73
Rot. Bonds1

About (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol

(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 101388624) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
PubChem CID101388624
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#C[C@@H](O)C1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,12-13H,4-6,8H2,1-3H3/t12-/m1/s1
InChIKeyMTPBZHYOYJKEHT-GFCCVEGCSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-ylmethanediol
CID 21392290
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 106657893
1-(1-iodoethyl)cyclohexene
CID 126621262
1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
CID 122382305
cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
CID 114826734
(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol
CID 101239882

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol (CID 101388624) is (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#C[C@@H](O)C1=CCCCC1.
What is the InChIKey of (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is MTPBZHYOYJKEHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,12-13H,4-6,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol?
(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 208.38 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 101388624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).