3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol

C16H32OSi — CID 164669381

IUPAC3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
SMILESCC(C)C(C)(O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)16(9,17)10-11-18(13(3)4,14(5)6)15(7)8/h12-15,17H,1-9H3
InChIKeyNORGYSLSNUGTTN-UHFFFAOYSA-N
MW268.52 g/mol
LogP4.61
Rot. Bonds4

About 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol

3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol (PubChem CID 164669381) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
PubChem CID164669381
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
SMILESCC(C)C(C)(O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)16(9,17)10-11-18(13(3)4,14(5)6)15(7)8/h12-15,17H,1-9H3
InChIKeyNORGYSLSNUGTTN-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.52
LogP ≤ 54.61
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-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
(3R)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 135054452
2-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135069921
2-Methyl-5-trimethylsilylpent-4-yn-2-ol
CID 10442134
2-Methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 156625822
3-Ethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
CID 159866305
4-Methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol
CID 10751059
(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 11401366
1-Triethylsilyl-3-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 12036884
1-Pentyn-3-ol, 3,4-dimethyl-1-(trimethylsilyl)-
CID 12063761
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
(3S)-3-tert-butyl-6,6-dimethyl-1-tri(propan-2-yl)silylhepta-1,4-diyn-3-ol
CID 16754359

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
The IUPAC name of 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol (CID 164669381) is 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol.
What is the SMILES notation for 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
The canonical SMILES for 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol is CC(C)C(C)(O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
The InChIKey is NORGYSLSNUGTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12(2)16(9,17)10-11-18(13(3)4,14(5)6)15(7)8/h12-15,17H,1-9H3.
What are the key properties of 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol has a molecular weight of 268.52 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol is sourced from PubChem (CID 164669381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).