4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol

C12H24OSi — CID 10751059

IUPAC4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)C(O)(C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)12(13,11(3)4)8-9-14(5,6)7/h10-11,13H,1-7H3
InChIKeyZKDFPYUOMPEXRN-UHFFFAOYSA-N
MW212.41 g/mol
LogP2.91
Rot. Bonds2

About 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol

4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 10751059) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID10751059
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)C(O)(C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)12(13,11(3)4)8-9-14(5,6)7/h10-11,13H,1-7H3
InChIKeyZKDFPYUOMPEXRN-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 52.91
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

3-Ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 15526815
3-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
2-Methyl-3-(1-methylethyl)-hex-4-yn-3-ol
CID 58691553
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
(2R)-2-cyclopropyl-5-trimethylsilylpent-4-yn-2-ol
CID 134964822
3,4-Dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
CID 164669381
2-Methyl-5-trimethylsilylpent-4-yn-2-ol
CID 10442134
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-(2-Trimethylsilylethynyl)hept-1-yn-4-ol
CID 53859588
2-Cyclopropyl-4-trimethylsilanyl-but-3-yn-2-ol
CID 58731341
3-Ethyl-2,6-dimethylhept-4-yn-3-ol
CID 88969686
3-Ethyl-2-methylhex-4-yn-3-ol
CID 89270916

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol (CID 10751059) is 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol is CC(C)C(O)(C#C[Si](C)(C)C)C(C)C.
What is the InChIKey of 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is ZKDFPYUOMPEXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(2)12(13,11(3)4)8-9-14(5,6)7/h10-11,13H,1-7H3.
What are the key properties of 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol?
4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 212.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 10751059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).