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

C14H26OSi — CID 12786176

IUPAC1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane
SMILESC#CC(O[Si](C)(C)C)C1(CCCC)CCC1
InChIInChI=1S/C14H26OSi/c1-6-8-10-14(11-9-12-14)13(7-2)15-16(3,4)5/h2,13H,6,8-12H2,1,3-5H3
InChIKeyHHFRHAWIFDKCDE-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.20
Rot. Bonds6

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

1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane (PubChem CID 12786176) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane.

Molecular Properties

Compound Name1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane
PubChem CID12786176
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane
SMILESC#CC(O[Si](C)(C)C)C1(CCCC)CCC1
InChIInChI=1S/C14H26OSi/c1-6-8-10-14(11-9-12-14)13(7-2)15-16(3,4)5/h2,13H,6,8-12H2,1,3-5H3
InChIKeyHHFRHAWIFDKCDE-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.20
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-butylcyclobutyl)prop-2-ynoxy-trimethylsilane?
The IUPAC name of 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane (CID 12786176) is 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane.
What is the SMILES notation for 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane?
The canonical SMILES for 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane is C#CC(O[Si](C)(C)C)C1(CCCC)CCC1.
What is the InChIKey of 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane?
The InChIKey is HHFRHAWIFDKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-6-8-10-14(11-9-12-14)13(7-2)15-16(3,4)5/h2,13H,6,8-12H2,1,3-5H3.
What are the key properties of 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane?
1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclobutyl)prop-2-ynoxy-trimethylsilane is sourced from PubChem (CID 12786176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).