dimethoxy-bis(3-methylbuta-1,3-dienyl)silane

C12H20O2Si — CID 178181629

IUPACdimethoxy-bis(3-methylbuta-1,3-dienyl)silane
SMILESC=C(C)C=C[Si](C=CC(=C)C)(OC)OC
InChIInChI=1S/C12H20O2Si/c1-11(2)7-9-15(13-5,14-6)10-8-12(3)4/h7-10H,1,3H2,2,4-6H3
InChIKeyARQQEBFUQDZOAA-UHFFFAOYSA-N
MW224.38 g/mol
LogP3.06
Rot. Bonds6

About dimethoxy-bis(3-methylbuta-1,3-dienyl)silane

dimethoxy-bis(3-methylbuta-1,3-dienyl)silane (PubChem CID 178181629) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is dimethoxy-bis(3-methylbuta-1,3-dienyl)silane.

Molecular Properties

Compound Namedimethoxy-bis(3-methylbuta-1,3-dienyl)silane
PubChem CID178181629
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Namedimethoxy-bis(3-methylbuta-1,3-dienyl)silane
SMILESC=C(C)C=C[Si](C=CC(=C)C)(OC)OC
InChIInChI=1S/C12H20O2Si/c1-11(2)7-9-15(13-5,14-6)10-8-12(3)4/h7-10H,1,3H2,2,4-6H3
InChIKeyARQQEBFUQDZOAA-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-methoxy-3-methylbuta-1,3-diene
CID 10877062
(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene
CID 88950589
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
bis(3-methylbuta-1,3-dienyl)gallane
CID 173276496
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
CID 143035425
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811

Frequently Asked Questions

What is the IUPAC name of dimethoxy-bis(3-methylbuta-1,3-dienyl)silane?
The IUPAC name of dimethoxy-bis(3-methylbuta-1,3-dienyl)silane (CID 178181629) is dimethoxy-bis(3-methylbuta-1,3-dienyl)silane.
What is the SMILES notation for dimethoxy-bis(3-methylbuta-1,3-dienyl)silane?
The canonical SMILES for dimethoxy-bis(3-methylbuta-1,3-dienyl)silane is C=C(C)C=C[Si](C=CC(=C)C)(OC)OC.
What is the InChIKey of dimethoxy-bis(3-methylbuta-1,3-dienyl)silane?
The InChIKey is ARQQEBFUQDZOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-11(2)7-9-15(13-5,14-6)10-8-12(3)4/h7-10H,1,3H2,2,4-6H3.
What are the key properties of dimethoxy-bis(3-methylbuta-1,3-dienyl)silane?
dimethoxy-bis(3-methylbuta-1,3-dienyl)silane has a molecular weight of 224.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-bis(3-methylbuta-1,3-dienyl)silane is sourced from PubChem (CID 178181629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).