5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole

C12H20OSi — CID 102082442

IUPAC5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole
SMILESC=CCCC1C=C(C(=C)C)[Si](C)(C)O1
InChIInChI=1S/C12H20OSi/c1-6-7-8-11-9-12(10(2)3)14(4,5)13-11/h6,9,11H,1-2,7-8H2,3-5H3
InChIKeyCXLPEKMYKBDDNO-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.60
Rot. Bonds4

About 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole

5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole (PubChem CID 102082442) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole.

Molecular Properties

Compound Name5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole
PubChem CID102082442
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole
SMILESC=CCCC1C=C(C(=C)C)[Si](C)(C)O1
InChIInChI=1S/C12H20OSi/c1-6-7-8-11-9-12(10(2)3)14(4,5)13-11/h6,9,11H,1-2,7-8H2,3-5H3
InChIKeyCXLPEKMYKBDDNO-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole?
The IUPAC name of 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole (CID 102082442) is 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole.
What is the SMILES notation for 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole?
The canonical SMILES for 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole is C=CCCC1C=C(C(=C)C)[Si](C)(C)O1.
What is the InChIKey of 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole?
The InChIKey is CXLPEKMYKBDDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-6-7-8-11-9-12(10(2)3)14(4,5)13-11/h6,9,11H,1-2,7-8H2,3-5H3.
What are the key properties of 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole?
5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole has a molecular weight of 208.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilole is sourced from PubChem (CID 102082442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).