5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one

C14H26O5Si — CID 174102855

IUPAC5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one
SMILESC=C1OC(=O)CC1CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H26O5Si/c1-5-16-20(17-6-2,18-7-3)10-8-9-13-11-14(15)19-12(13)4/h13H,4-11H2,1-3H3
InChIKeyHPTLLOPQZMUCRN-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.89
Rot. Bonds10

About 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one

5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one (PubChem CID 174102855) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one
PubChem CID174102855
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one
SMILESC=C1OC(=O)CC1CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H26O5Si/c1-5-16-20(17-6-2,18-7-3)10-8-9-13-11-14(15)19-12(13)4/h13H,4-11H2,1-3H3
InChIKeyHPTLLOPQZMUCRN-UHFFFAOYSA-N
XLogP2.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one?
The IUPAC name of 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one (CID 174102855) is 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one.
What is the SMILES notation for 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one?
The canonical SMILES for 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one is C=C1OC(=O)CC1CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one?
The InChIKey is HPTLLOPQZMUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-5-16-20(17-6-2,18-7-3)10-8-9-13-11-14(15)19-12(13)4/h13H,4-11H2,1-3H3.
What are the key properties of 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one?
5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one has a molecular weight of 302.44 g/mol, XLogP of 2.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one is sourced from PubChem (CID 174102855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).