heptoxy-dimethyl-(3-methylbut-2-enoxy)silane

C14H30O2Si — CID 91738025

IUPACheptoxy-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C14H30O2Si/c1-6-7-8-9-10-12-15-17(4,5)16-13-11-14(2)3/h11H,6-10,12-13H2,1-5H3
InChIKeyUTQNHOUUSKCEOO-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.66
Rot. Bonds10

About heptoxy-dimethyl-(3-methylbut-2-enoxy)silane

heptoxy-dimethyl-(3-methylbut-2-enoxy)silane (PubChem CID 91738025) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is heptoxy-dimethyl-(3-methylbut-2-enoxy)silane.

Molecular Properties

Compound Nameheptoxy-dimethyl-(3-methylbut-2-enoxy)silane
PubChem CID91738025
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nameheptoxy-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C14H30O2Si/c1-6-7-8-9-10-12-15-17(4,5)16-13-11-14(2)3/h11H,6-10,12-13H2,1-5H3
InChIKeyUTQNHOUUSKCEOO-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.66
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 heptoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The IUPAC name of heptoxy-dimethyl-(3-methylbut-2-enoxy)silane (CID 91738025) is heptoxy-dimethyl-(3-methylbut-2-enoxy)silane.
What is the SMILES notation for heptoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The canonical SMILES for heptoxy-dimethyl-(3-methylbut-2-enoxy)silane is CCCCCCCO[Si](C)(C)OCC=C(C)C.
What is the InChIKey of heptoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The InChIKey is UTQNHOUUSKCEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-6-7-8-9-10-12-15-17(4,5)16-13-11-14(2)3/h11H,6-10,12-13H2,1-5H3.
What are the key properties of heptoxy-dimethyl-(3-methylbut-2-enoxy)silane?
heptoxy-dimethyl-(3-methylbut-2-enoxy)silane has a molecular weight of 258.48 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-dimethyl-(3-methylbut-2-enoxy)silane is sourced from PubChem (CID 91738025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).