methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane

C12H24O2Si — CID 123663278

IUPACmethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane
SMILESC=CCOCCC[SiH](C)C1CCCCO1
InChIInChI=1S/C12H24O2Si/c1-3-8-13-9-6-11-15(2)12-7-4-5-10-14-12/h3,12,15H,1,4-11H2,2H3
InChIKeyNPKAHLXPBGYHAA-UHFFFAOYSA-N
MW228.41 g/mol
LogP2.54
Rot. Bonds7

About methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane

methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane (PubChem CID 123663278) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane.

Molecular Properties

Compound Namemethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane
PubChem CID123663278
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namemethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane
SMILESC=CCOCCC[SiH](C)C1CCCCO1
InChIInChI=1S/C12H24O2Si/c1-3-8-13-9-6-11-15(2)12-7-4-5-10-14-12/h3,12,15H,1,4-11H2,2H3
InChIKeyNPKAHLXPBGYHAA-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.54
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 methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
The IUPAC name of methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane (CID 123663278) is methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane.
What is the SMILES notation for methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
The canonical SMILES for methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane is C=CCOCCC[SiH](C)C1CCCCO1.
What is the InChIKey of methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
The InChIKey is NPKAHLXPBGYHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-3-8-13-9-6-11-15(2)12-7-4-5-10-14-12/h3,12,15H,1,4-11H2,2H3.
What are the key properties of methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane has a molecular weight of 228.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane is sourced from PubChem (CID 123663278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).