hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane

C12H24O4Si — CID 134890085

IUPAChydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane
SMILESCC1(CCCC2(C)OC2[Si](C)(C)O)OCCO1
InChIInChI=1S/C12H24O4Si/c1-11(10(16-11)17(3,4)13)6-5-7-12(2)14-8-9-15-12/h10,13H,5-9H2,1-4H3
InChIKeyVHWXWJRSWUHAMJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.81
Rot. Bonds5

About hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane

hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane (PubChem CID 134890085) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane
PubChem CID134890085
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namehydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane
SMILESCC1(CCCC2(C)OC2[Si](C)(C)O)OCCO1
InChIInChI=1S/C12H24O4Si/c1-11(10(16-11)17(3,4)13)6-5-7-12(2)14-8-9-15-12/h10,13H,5-9H2,1-4H3
InChIKeyVHWXWJRSWUHAMJ-UHFFFAOYSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane?
The IUPAC name of hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane (CID 134890085) is hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane.
What is the SMILES notation for hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane?
The canonical SMILES for hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane is CC1(CCCC2(C)OC2[Si](C)(C)O)OCCO1.
What is the InChIKey of hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane?
The InChIKey is VHWXWJRSWUHAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-11(10(16-11)17(3,4)13)6-5-7-12(2)14-8-9-15-12/h10,13H,5-9H2,1-4H3.
What are the key properties of hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane?
hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane has a molecular weight of 260.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane is sourced from PubChem (CID 134890085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).