2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole

C12H22OSi — CID 59227484

IUPAC2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole
SMILESC=C(C)C1=CCO[Si]1(C(C)C)C(C)C
InChIInChI=1S/C12H22OSi/c1-9(2)12-7-8-13-14(12,10(3)4)11(5)6/h7,10-11H,1,8H2,2-6H3
InChIKeyUMMLTQDVPRDHLT-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.82
Rot. Bonds3

About 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole

2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole (PubChem CID 59227484) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole
PubChem CID59227484
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole
SMILESC=C(C)C1=CCO[Si]1(C(C)C)C(C)C
InChIInChI=1S/C12H22OSi/c1-9(2)12-7-8-13-14(12,10(3)4)11(5)6/h7,10-11H,1,8H2,2-6H3
InChIKeyUMMLTQDVPRDHLT-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole?
The IUPAC name of 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole (CID 59227484) is 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole.
What is the SMILES notation for 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole?
The canonical SMILES for 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole is C=C(C)C1=CCO[Si]1(C(C)C)C(C)C.
What is the InChIKey of 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole?
The InChIKey is UMMLTQDVPRDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-9(2)12-7-8-13-14(12,10(3)4)11(5)6/h7,10-11H,1,8H2,2-6H3.
What are the key properties of 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole?
2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole has a molecular weight of 210.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-3-prop-1-en-2-yl-5H-oxasilole is sourced from PubChem (CID 59227484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).