1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane

C17H30OSi — CID 54031856

IUPAC1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane
SMILESC#CC(O[Si](C)(C)C)C1(CCC2CCCC2)CCC1
InChIInChI=1S/C17H30OSi/c1-5-16(18-19(2,3)4)17(12-8-13-17)14-11-15-9-6-7-10-15/h1,15-16H,6-14H2,2-4H3
InChIKeyLGDQDNAJUIBNEI-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.98
Rot. Bonds6

About 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane

1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane (PubChem CID 54031856) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane.

Molecular Properties

Compound Name1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane
PubChem CID54031856
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane
SMILESC#CC(O[Si](C)(C)C)C1(CCC2CCCC2)CCC1
InChIInChI=1S/C17H30OSi/c1-5-16(18-19(2,3)4)17(12-8-13-17)14-11-15-9-6-7-10-15/h1,15-16H,6-14H2,2-4H3
InChIKeyLGDQDNAJUIBNEI-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.98
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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Related Compounds

{[1-(1-Butylcyclobutyl)prop-2-yn-1-yl]oxy}(trimethyl)silane
CID 12786176
1-(1-Hexylcyclobutyl)prop-2-ynoxy-trimethylsilane
CID 20565032
1-(1-Butylcyclopentyl)prop-2-ynoxy-trimethylsilane
CID 20565042
Trimethyl-[1-(1-pentylcyclobutyl)prop-2-ynoxy]silane
CID 20565048
Tert-butyl({1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynyl}oxy) dimethylsilane
CID 86760618
CID 155673242
CID 155673242
[(1S)-1-(1-butylcyclobutyl)prop-2-ynoxy]-trimethylsilane
CID 129404610
[(1R)-1-(1-butylcyclobutyl)prop-2-ynoxy]-trimethylsilane
CID 129404611

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane?
The IUPAC name of 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane (CID 54031856) is 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane.
What is the SMILES notation for 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane?
The canonical SMILES for 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane is C#CC(O[Si](C)(C)C)C1(CCC2CCCC2)CCC1.
What is the InChIKey of 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane?
The InChIKey is LGDQDNAJUIBNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-5-16(18-19(2,3)4)17(12-8-13-17)14-11-15-9-6-7-10-15/h1,15-16H,6-14H2,2-4H3.
What are the key properties of 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane?
1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopentylethyl)cyclobutyl]prop-2-ynoxy-trimethylsilane is sourced from PubChem (CID 54031856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).