1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate

C11H20O3SSi — CID 175085051

IUPAC1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)S[SiH]1CCCCO1
InChIInChI=1S/C11H20O3SSi/c1-4-10(14-11(12)9(2)3)15-16-8-6-5-7-13-16/h10,16H,2,4-8H2,1,3H3
InChIKeyXMHWLELVBGQKDU-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.61
Rot. Bonds5

About 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate

1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate (PubChem CID 175085051) has the molecular formula C11H20O3SSi and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate
PubChem CID175085051
Molecular FormulaC11H20O3SSi
Molecular Weight260.43 g/mol
Exact Mass260.09
IUPAC Name1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)S[SiH]1CCCCO1
InChIInChI=1S/C11H20O3SSi/c1-4-10(14-11(12)9(2)3)15-16-8-6-5-7-13-16/h10,16H,2,4-8H2,1,3H3
InChIKeyXMHWLELVBGQKDU-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate (CID 175085051) is 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)S[SiH]1CCCCO1.
What is the InChIKey of 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate?
The InChIKey is XMHWLELVBGQKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3SSi/c1-4-10(14-11(12)9(2)3)15-16-8-6-5-7-13-16/h10,16H,2,4-8H2,1,3H3.
What are the key properties of 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate?
1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate has a molecular weight of 260.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 175085051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).