5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol

C18H36O2Si — CID 53253534

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol
SMILESCC(C)C(C#CC(C)(C)O)(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-14(2)18(15(3)4,13-12-17(8,9)19)20-21(10,11)16(5,6)7/h14-15,19H,1-11H3
InChIKeyTWZXTBPENHATDC-UHFFFAOYSA-N
MW312.57 g/mol
LogP4.83
Rot. Bonds4

About 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol

5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol (PubChem CID 53253534) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol
PubChem CID53253534
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol
SMILESCC(C)C(C#CC(C)(C)O)(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-14(2)18(15(3)4,13-12-17(8,9)19)20-21(10,11)16(5,6)7/h14-15,19H,1-11H3
InChIKeyTWZXTBPENHATDC-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.83
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

2,4,7,9-Tetramethyldec-5-yne-4,7-diol, mono-trimethylsilyl ether
CID 91737715
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
4-Methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-ol
CID 10751059

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol (CID 53253534) is 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol is CC(C)C(C#CC(C)(C)O)(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol?
The InChIKey is TWZXTBPENHATDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-14(2)18(15(3)4,13-12-17(8,9)19)20-21(10,11)16(5,6)7/h14-15,19H,1-11H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol?
5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol has a molecular weight of 312.57 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol is sourced from PubChem (CID 53253534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).