(1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane

C13H24OSi — CID 13387951

IUPAC(1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane
SMILESC#CCC(C)(CCC1CC1)O[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-6-10-13(2,14-15(3,4)5)11-9-12-7-8-12/h1,12H,7-11H2,2-5H3
InChIKeyIPBXRBOBBINJKN-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.81
Rot. Bonds6

About (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane

(1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane (PubChem CID 13387951) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane
PubChem CID13387951
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane
SMILESC#CCC(C)(CCC1CC1)O[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-6-10-13(2,14-15(3,4)5)11-9-12-7-8-12/h1,12H,7-11H2,2-5H3
InChIKeyIPBXRBOBBINJKN-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane?
The IUPAC name of (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane (CID 13387951) is (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane?
The canonical SMILES for (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane is C#CCC(C)(CCC1CC1)O[Si](C)(C)C.
What is the InChIKey of (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane?
The InChIKey is IPBXRBOBBINJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-6-10-13(2,14-15(3,4)5)11-9-12-7-8-12/h1,12H,7-11H2,2-5H3.
What are the key properties of (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane?
(1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-3-methylhex-5-yn-3-yl)oxy-trimethylsilane is sourced from PubChem (CID 13387951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).