2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane

C12H24O2Si — CID 67914695

IUPAC2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane
SMILESC=CCOC(CC)C1CCC[Si](C)(C)O1
InChIInChI=1S/C12H24O2Si/c1-5-9-13-11(6-2)12-8-7-10-15(3,4)14-12/h5,11-12H,1,6-10H2,2-4H3
InChIKeyZCQGTCQQJLMWFQ-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds5

About 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane

2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane (PubChem CID 67914695) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane
PubChem CID67914695
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane
SMILESC=CCOC(CC)C1CCC[Si](C)(C)O1
InChIInChI=1S/C12H24O2Si/c1-5-9-13-11(6-2)12-8-7-10-15(3,4)14-12/h5,11-12H,1,6-10H2,2-4H3
InChIKeyZCQGTCQQJLMWFQ-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane?
The IUPAC name of 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane (CID 67914695) is 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane.
What is the SMILES notation for 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane?
The canonical SMILES for 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane is C=CCOC(CC)C1CCC[Si](C)(C)O1.
What is the InChIKey of 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane?
The InChIKey is ZCQGTCQQJLMWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-9-13-11(6-2)12-8-7-10-15(3,4)14-12/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane?
2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane is sourced from PubChem (CID 67914695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).