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

C11H20O2Si — CID 10910861

IUPAC(2Z)-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-WZUFQYTHSA-N
MW212.36 g/mol
LogP2.84
Rot. Bonds3

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

(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde (PubChem CID 10910861) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
PubChem CID10910861
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(2Z)-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-WZUFQYTHSA-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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Related Compounds

(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(Z)-2-fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 20063409
2-Fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 54231229
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
CID 88472264
(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal
CID 10911271
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
CID 11499590
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enal
CID 11665784
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal
CID 101135390
(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
CID 101254489
(2E)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal
CID 101254490
2-Pentenal, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2E)-
CID 54030944

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
The IUPAC name of (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde (CID 10910861) is (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde.
What is the SMILES notation for (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
The canonical SMILES for (2Z)-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 (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
The InChIKey is DSLGPHBJCIPUIO-WZUFQYTHSA-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 (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde?
(2Z)-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 (2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde is sourced from PubChem (CID 10910861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).