(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde

C11H20O2Si — CID 101254489

IUPAC(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
SMILESCC(C)[Si]1(C(C)C)OCC/C1=C\C=O
InChIInChI=1S/C11H20O2Si/c1-9(2)14(10(3)4)11(5-7-12)6-8-13-14/h5,7,9-10H,6,8H2,1-4H3/b11-5+
InChIKeyDSLGPHBJCIPUIO-VZUCSPMQSA-N
MW212.36 g/mol
LogP2.84
Rot. Bonds3

About (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde

(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde (PubChem CID 101254489) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
PubChem CID101254489
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
SMILESCC(C)[Si]1(C(C)C)OCC/C1=C\C=O
InChIInChI=1S/C11H20O2Si/c1-9(2)14(10(3)4)11(5-7-12)6-8-13-14/h5,7,9-10H,6,8H2,1-4H3/b11-5+
InChIKeyDSLGPHBJCIPUIO-VZUCSPMQSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
The IUPAC name of (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde (CID 101254489) is (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde.
What is the SMILES notation for (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
The canonical SMILES for (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde is CC(C)[Si]1(C(C)C)OCC/C1=C\C=O.
What is the InChIKey of (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
The InChIKey is DSLGPHBJCIPUIO-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-9(2)14(10(3)4)11(5-7-12)6-8-13-14/h5,7,9-10H,6,8H2,1-4H3/b11-5+.
What are the key properties of (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde has a molecular weight of 212.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde is sourced from PubChem (CID 101254489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).