7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol

C12H19ClOSi — CID 20541535

IUPAC7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCCl
InChIInChI=1S/C12H19ClOSi/c1-5-7-12(14,8-6-10-13)9-11-15(2,3)4/h1,14H,6-8,10H2,2-4H3
InChIKeyWIGTZBCCUMFTCB-UHFFFAOYSA-N
MW242.82 g/mol
LogP2.64
Rot. Bonds4

About 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol

7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol (PubChem CID 20541535) has the molecular formula C12H19ClOSi and a molecular weight of 242.82 g/mol. Its IUPAC name is 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol.

Molecular Properties

Compound Name7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol
PubChem CID20541535
Molecular FormulaC12H19ClOSi
Molecular Weight242.82 g/mol
Exact Mass242.09
IUPAC Name7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCCl
InChIInChI=1S/C12H19ClOSi/c1-5-7-12(14,8-6-10-13)9-11-15(2,3)4/h1,14H,6-8,10H2,2-4H3
InChIKeyWIGTZBCCUMFTCB-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol?
The IUPAC name of 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol (CID 20541535) is 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol.
What is the SMILES notation for 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol?
The canonical SMILES for 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol is C#CCC(O)(C#C[Si](C)(C)C)CCCCl.
What is the InChIKey of 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol?
The InChIKey is WIGTZBCCUMFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClOSi/c1-5-7-12(14,8-6-10-13)9-11-15(2,3)4/h1,14H,6-8,10H2,2-4H3.
What are the key properties of 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol?
7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol has a molecular weight of 242.82 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-trimethylsilylethynyl)hept-1-yn-4-ol is sourced from PubChem (CID 20541535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).