(8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane

C14H24O2Si — CID 10060795

IUPAC(8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
SMILESC=CCCC1CCC=C(O[Si](C)(C)C)C12CO2
InChIInChI=1S/C14H24O2Si/c1-5-6-8-12-9-7-10-13(14(12)11-15-14)16-17(2,3)4/h5,10,12H,1,6-9,11H2,2-4H3
InChIKeyMSWZBOCAKLGDAC-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.87
Rot. Bonds5

About (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane

(8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane (PubChem CID 10060795) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
PubChem CID10060795
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
SMILESC=CCCC1CCC=C(O[Si](C)(C)C)C12CO2
InChIInChI=1S/C14H24O2Si/c1-5-6-8-12-9-7-10-13(14(12)11-15-14)16-17(2,3)4/h5,10,12H,1,6-9,11H2,2-4H3
InChIKeyMSWZBOCAKLGDAC-UHFFFAOYSA-N
XLogP3.87
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 11644380
trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 46839064
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134939463
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
[(1S,4S,5S)-4-tert-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263635
Trimethyl-[(1-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771792
(2,2-Dimethyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10013942
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
Trimethyl(1-oxaspiro[2.6]non-4-en-4-yloxy)silane
CID 10059049
trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane
CID 10060794

Frequently Asked Questions

What is the IUPAC name of (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane?
The IUPAC name of (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane (CID 10060795) is (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane?
The canonical SMILES for (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane is C=CCCC1CCC=C(O[Si](C)(C)C)C12CO2.
What is the InChIKey of (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane?
The InChIKey is MSWZBOCAKLGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-5-6-8-12-9-7-10-13(14(12)11-15-14)16-17(2,3)4/h5,10,12H,1,6-9,11H2,2-4H3.
What are the key properties of (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane?
(8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane has a molecular weight of 252.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-but-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 10060795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).