1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane

C15H28OSi — CID 20565042

IUPAC1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane
SMILESC#CC(O[Si](C)(C)C)C1(CCCC)CCCC1
InChIInChI=1S/C15H28OSi/c1-6-8-11-15(12-9-10-13-15)14(7-2)16-17(3,4)5/h2,14H,6,8-13H2,1,3-5H3
InChIKeyGPBPYMXIVMWFHN-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.59
Rot. Bonds6

About 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane

1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane (PubChem CID 20565042) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane.

Molecular Properties

Compound Name1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane
PubChem CID20565042
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane
SMILESC#CC(O[Si](C)(C)C)C1(CCCC)CCCC1
InChIInChI=1S/C15H28OSi/c1-6-8-11-15(12-9-10-13-15)14(7-2)16-17(3,4)5/h2,14H,6,8-13H2,1,3-5H3
InChIKeyGPBPYMXIVMWFHN-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.59
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-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane?
The IUPAC name of 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane (CID 20565042) is 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane.
What is the SMILES notation for 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane?
The canonical SMILES for 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane is C#CC(O[Si](C)(C)C)C1(CCCC)CCCC1.
What is the InChIKey of 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane?
The InChIKey is GPBPYMXIVMWFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-6-8-11-15(12-9-10-13-15)14(7-2)16-17(3,4)5/h2,14H,6,8-13H2,1,3-5H3.
What are the key properties of 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane?
1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclopentyl)prop-2-ynoxy-trimethylsilane is sourced from PubChem (CID 20565042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).