1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol

C16H32O2Si — CID 123523351

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
SMILESCCCC(O)(C#CCO[Si](C)(C)C(C)(C)C)CCC
InChIInChI=1S/C16H32O2Si/c1-8-11-16(17,12-9-2)13-10-14-18-19(6,7)15(3,4)5/h17H,8-9,11-12,14H2,1-7H3
InChIKeyBANDBEBMBJVMGC-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.34
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol

1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol (PubChem CID 123523351) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
PubChem CID123523351
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
SMILESCCCC(O)(C#CCO[Si](C)(C)C(C)(C)C)CCC
InChIInChI=1S/C16H32O2Si/c1-8-11-16(17,12-9-2)13-10-14-18-19(6,7)15(3,4)5/h17H,8-9,11-12,14H2,1-7H3
InChIKeyBANDBEBMBJVMGC-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-(2-Trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
CID 20565068
4-[Tert-butyl(dimethyl)silyl]oxy-4-ethyloct-2-yn-1-ol
CID 85825714
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol
CID 85825764
4-Methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
CID 88799774
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol
CID 90710501
1-[Tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 142478631
1-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
CID 155771696
1,7-Bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
CID 158098003
Tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol
CID 165029410
Tert-butyl-dimethyl-(2-methylhex-5-yn-2-yloxy)silane;2-methylhex-5-yn-2-ol
CID 165029411
Ethoxy-(4-methylheptan-4-yloxy)-di(propan-2-yl)silane
CID 176085507

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol (CID 123523351) is 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol is CCCC(O)(C#CCO[Si](C)(C)C(C)(C)C)CCC.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol?
The InChIKey is BANDBEBMBJVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-11-16(17,12-9-2)13-10-14-18-19(6,7)15(3,4)5/h17H,8-9,11-12,14H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol is sourced from PubChem (CID 123523351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).