(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane

C15H28OSi — CID 11470770

IUPAC(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CCCC1(O[Si](C)(C)C(C)(C)C)CC=CC1
InChIInChI=1S/C15H28OSi/c1-7-8-11-15(12-9-10-13-15)16-17(5,6)14(2,3)4/h7,9-10H,1,8,11-13H2,2-6H3
InChIKeyKSDVOTBGNRIQKE-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.06
Rot. Bonds5

About (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane

(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 11470770) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID11470770
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CCCC1(O[Si](C)(C)C(C)(C)C)CC=CC1
InChIInChI=1S/C15H28OSi/c1-7-8-11-15(12-9-10-13-15)16-17(5,6)14(2,3)4/h7,9-10H,1,8,11-13H2,2-6H3
InChIKeyKSDVOTBGNRIQKE-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
[(1R,6R,8aS)-1-[(E)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 101073554
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
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CID 134931804
trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
CID 102011598
(3aR,5S,6R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-7a-methyl-4,5,6,7-tetrahydro-3H-inden-3a-ol
CID 102439939
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926

Frequently Asked Questions

What is the IUPAC name of (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 11470770) is (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane is C=CCCC1(O[Si](C)(C)C(C)(C)C)CC=CC1.
What is the InChIKey of (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is KSDVOTBGNRIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-8-11-15(12-9-10-13-15)16-17(5,6)14(2,3)4/h7,9-10H,1,8,11-13H2,2-6H3.
What are the key properties of (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane?
(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11470770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).