dibutoxy-methyl-prop-2-enylsilane

C12H26O2Si — CID 23109731

IUPACdibutoxy-methyl-prop-2-enylsilane
SMILESC=CC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C12H26O2Si/c1-5-8-10-13-15(4,12-7-3)14-11-9-6-2/h7H,3,5-6,8-12H2,1-2,4H3
InChIKeyMMGCYRWHYKJJDN-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.88
Rot. Bonds10

About dibutoxy-methyl-prop-2-enylsilane

dibutoxy-methyl-prop-2-enylsilane (PubChem CID 23109731) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is dibutoxy-methyl-prop-2-enylsilane.

Molecular Properties

Compound Namedibutoxy-methyl-prop-2-enylsilane
PubChem CID23109731
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namedibutoxy-methyl-prop-2-enylsilane
SMILESC=CC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C12H26O2Si/c1-5-8-10-13-15(4,12-7-3)14-11-9-6-2/h7H,3,5-6,8-12H2,1-2,4H3
InChIKeyMMGCYRWHYKJJDN-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutoxy-methyl-prop-2-enylsilane?
The IUPAC name of dibutoxy-methyl-prop-2-enylsilane (CID 23109731) is dibutoxy-methyl-prop-2-enylsilane.
What is the SMILES notation for dibutoxy-methyl-prop-2-enylsilane?
The canonical SMILES for dibutoxy-methyl-prop-2-enylsilane is C=CC[Si](C)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-methyl-prop-2-enylsilane?
The InChIKey is MMGCYRWHYKJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-8-10-13-15(4,12-7-3)14-11-9-6-2/h7H,3,5-6,8-12H2,1-2,4H3.
What are the key properties of dibutoxy-methyl-prop-2-enylsilane?
dibutoxy-methyl-prop-2-enylsilane has a molecular weight of 230.42 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-methyl-prop-2-enylsilane is sourced from PubChem (CID 23109731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).