5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol

C11H22OSi — CID 552364

IUPAC5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol
SMILESCC(O)CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(12)8-7-9-13(5,6)11(2,3)4/h10,12H,8H2,1-6H3
InChIKeyKUTLJUOUUUSCJW-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.81
Rot. Bonds1

About 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol

5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol (PubChem CID 552364) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol
PubChem CID552364
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol
SMILESCC(O)CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(12)8-7-9-13(5,6)11(2,3)4/h10,12H,8H2,1-6H3
InChIKeyKUTLJUOUUUSCJW-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.81
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

5-trimethylsilylpent-4-yn-2-ol
CID 11073669
2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol
CID 170899780
(2R,9R)-deca-4,6-diyne-2,9-diol
CID 129384337
5-bromopent-1-ynyl-tert-butyl-dimethylsilane
CID 54756896
[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 4712639
2-O-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl] 1-O,1-O-diethyl 2-hydroxyethane-1,1,2-tricarboxylate
CID 11211375
tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
CID 86138061
(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 130831196
(2S)-hept-4-yn-2-ol
CID 7568791
tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane
CID 170899523
(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
CID 124629082
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol (CID 552364) is 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol is CC(O)CC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol?
The InChIKey is KUTLJUOUUUSCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(12)8-7-9-13(5,6)11(2,3)4/h10,12H,8H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol?
5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol has a molecular weight of 198.38 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol is sourced from PubChem (CID 552364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).