oxasilinan-2-yl 2-methylidenepent-4-enoate

C10H16O3Si — CID 173131090

IUPACoxasilinan-2-yl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)O[SiH]1CCCCO1
InChIInChI=1S/C10H16O3Si/c1-3-6-9(2)10(11)13-14-8-5-4-7-12-14/h3,14H,1-2,4-8H2
InChIKeySDQSGIXHQUYNCO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.69
Rot. Bonds4

About oxasilinan-2-yl 2-methylidenepent-4-enoate

oxasilinan-2-yl 2-methylidenepent-4-enoate (PubChem CID 173131090) has the molecular formula C10H16O3Si and a molecular weight of 212.32 g/mol. Its IUPAC name is oxasilinan-2-yl 2-methylidenepent-4-enoate.

Molecular Properties

Compound Nameoxasilinan-2-yl 2-methylidenepent-4-enoate
PubChem CID173131090
Molecular FormulaC10H16O3Si
Molecular Weight212.32 g/mol
Exact Mass212.09
IUPAC Nameoxasilinan-2-yl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)O[SiH]1CCCCO1
InChIInChI=1S/C10H16O3Si/c1-3-6-9(2)10(11)13-14-8-5-4-7-12-14/h3,14H,1-2,4-8H2
InChIKeySDQSGIXHQUYNCO-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxasilinan-2-yl 2-methylidenepent-4-enoate?
The IUPAC name of oxasilinan-2-yl 2-methylidenepent-4-enoate (CID 173131090) is oxasilinan-2-yl 2-methylidenepent-4-enoate.
What is the SMILES notation for oxasilinan-2-yl 2-methylidenepent-4-enoate?
The canonical SMILES for oxasilinan-2-yl 2-methylidenepent-4-enoate is C=CCC(=C)C(=O)O[SiH]1CCCCO1.
What is the InChIKey of oxasilinan-2-yl 2-methylidenepent-4-enoate?
The InChIKey is SDQSGIXHQUYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3Si/c1-3-6-9(2)10(11)13-14-8-5-4-7-12-14/h3,14H,1-2,4-8H2.
What are the key properties of oxasilinan-2-yl 2-methylidenepent-4-enoate?
oxasilinan-2-yl 2-methylidenepent-4-enoate has a molecular weight of 212.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxasilinan-2-yl 2-methylidenepent-4-enoate is sourced from PubChem (CID 173131090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).