buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane

C12H22OSi — CID 87850029

IUPACbuta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane
SMILESC=CC=C[Si](C)(C)CC1CCOCC1
InChIInChI=1S/C12H22OSi/c1-4-5-10-14(2,3)11-12-6-8-13-9-7-12/h4-5,10,12H,1,6-9,11H2,2-3H3
InChIKeyPYQBRLYPBFQCRE-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.40
Rot. Bonds4

About buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane

buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane (PubChem CID 87850029) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane.

Molecular Properties

Compound Namebuta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane
PubChem CID87850029
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Namebuta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane
SMILESC=CC=C[Si](C)(C)CC1CCOCC1
InChIInChI=1S/C12H22OSi/c1-4-5-10-14(2,3)11-12-6-8-13-9-7-12/h4-5,10,12H,1,6-9,11H2,2-3H3
InChIKeyPYQBRLYPBFQCRE-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.40
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 buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane?
The IUPAC name of buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane (CID 87850029) is buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane.
What is the SMILES notation for buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane?
The canonical SMILES for buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane is C=CC=C[Si](C)(C)CC1CCOCC1.
What is the InChIKey of buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane?
The InChIKey is PYQBRLYPBFQCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-4-5-10-14(2,3)11-12-6-8-13-9-7-12/h4-5,10,12H,1,6-9,11H2,2-3H3.
What are the key properties of buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane?
buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane has a molecular weight of 210.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienyl-dimethyl-(oxan-4-ylmethyl)silane is sourced from PubChem (CID 87850029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).