methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane

C9H16O2Si — CID 90463832

IUPACmethyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane
SMILESC=C(C)C(=C)OCCC[Si](C)=O
InChIInChI=1S/C9H16O2Si/c1-8(2)9(3)11-6-5-7-12(4)10/h1,3,5-7H2,2,4H3
InChIKeyBYOYVZPOKGWREY-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.53
Rot. Bonds6

About methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane

methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane (PubChem CID 90463832) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane.

Molecular Properties

Compound Namemethyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane
PubChem CID90463832
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Namemethyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane
SMILESC=C(C)C(=C)OCCC[Si](C)=O
InChIInChI=1S/C9H16O2Si/c1-8(2)9(3)11-6-5-7-12(4)10/h1,3,5-7H2,2,4H3
InChIKeyBYOYVZPOKGWREY-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane?
The IUPAC name of methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane (CID 90463832) is methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane.
What is the SMILES notation for methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane?
The canonical SMILES for methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane is C=C(C)C(=C)OCCC[Si](C)=O.
What is the InChIKey of methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane?
The InChIKey is BYOYVZPOKGWREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-8(2)9(3)11-6-5-7-12(4)10/h1,3,5-7H2,2,4H3.
What are the key properties of methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane?
methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane has a molecular weight of 184.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]-oxosilane is sourced from PubChem (CID 90463832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).