1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane

C14H30O6Si — CID 141128042

IUPAC1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane
SMILESCCC(OC(C)[Si](C)(OC)OC)OC1(CC)OC(CC)O1
InChIInChI=1S/C14H30O6Si/c1-8-12(17-11(4)21(7,15-5)16-6)18-14(10-3)19-13(9-2)20-14/h11-13H,8-10H2,1-7H3
InChIKeyCVUHFLRRYWCFQS-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.89
Rot. Bonds10

About 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane

1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane (PubChem CID 141128042) has the molecular formula C14H30O6Si and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane
PubChem CID141128042
Molecular FormulaC14H30O6Si
Molecular Weight322.47 g/mol
Exact Mass322.18
IUPAC Name1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane
SMILESCCC(OC(C)[Si](C)(OC)OC)OC1(CC)OC(CC)O1
InChIInChI=1S/C14H30O6Si/c1-8-12(17-11(4)21(7,15-5)16-6)18-14(10-3)19-13(9-2)20-14/h11-13H,8-10H2,1-7H3
InChIKeyCVUHFLRRYWCFQS-UHFFFAOYSA-N
XLogP2.89
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane?
The IUPAC name of 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane (CID 141128042) is 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane.
What is the SMILES notation for 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane?
The canonical SMILES for 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane is CCC(OC(C)[Si](C)(OC)OC)OC1(CC)OC(CC)O1.
What is the InChIKey of 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane?
The InChIKey is CVUHFLRRYWCFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6Si/c1-8-12(17-11(4)21(7,15-5)16-6)18-14(10-3)19-13(9-2)20-14/h11-13H,8-10H2,1-7H3.
What are the key properties of 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane?
1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane has a molecular weight of 322.47 g/mol, XLogP of 2.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]ethyl-dimethoxy-methylsilane is sourced from PubChem (CID 141128042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).