(2-buta-1,3-dienyloxan-2-yl)-dimethylsilane

C11H20OSi — CID 174785043

IUPAC(2-buta-1,3-dienyloxan-2-yl)-dimethylsilane
SMILESC=CC=CC1([SiH](C)C)CCCCO1
InChIInChI=1S/C11H20OSi/c1-4-5-8-11(13(2)3)9-6-7-10-12-11/h4-5,8,13H,1,6-7,9-10H2,2-3H3
InChIKeyMCRCXEAQGWNBIU-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.69
Rot. Bonds3

About (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane

(2-buta-1,3-dienyloxan-2-yl)-dimethylsilane (PubChem CID 174785043) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(2-buta-1,3-dienyloxan-2-yl)-dimethylsilane
PubChem CID174785043
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(2-buta-1,3-dienyloxan-2-yl)-dimethylsilane
SMILESC=CC=CC1([SiH](C)C)CCCCO1
InChIInChI=1S/C11H20OSi/c1-4-5-8-11(13(2)3)9-6-7-10-12-11/h4-5,8,13H,1,6-7,9-10H2,2-3H3
InChIKeyMCRCXEAQGWNBIU-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane?
The IUPAC name of (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane (CID 174785043) is (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane.
What is the SMILES notation for (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane?
The canonical SMILES for (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane is C=CC=CC1([SiH](C)C)CCCCO1.
What is the InChIKey of (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane?
The InChIKey is MCRCXEAQGWNBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-4-5-8-11(13(2)3)9-6-7-10-12-11/h4-5,8,13H,1,6-7,9-10H2,2-3H3.
What are the key properties of (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane?
(2-buta-1,3-dienyloxan-2-yl)-dimethylsilane has a molecular weight of 196.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-buta-1,3-dienyloxan-2-yl)-dimethylsilane is sourced from PubChem (CID 174785043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).