2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate

C11H18O3 — CID 58734503

IUPAC2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCOC1
InChIInChI=1S/C11H18O3/c1-8(2)10(12)14-11(3,4)9-5-6-13-7-9/h9H,1,5-7H2,2-4H3
InChIKeyKHMRUKJHHAEJQA-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds3

About 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate

2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 58734503) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID58734503
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCOC1
InChIInChI=1S/C11H18O3/c1-8(2)10(12)14-11(3,4)9-5-6-13-7-9/h9H,1,5-7H2,2-4H3
InChIKeyKHMRUKJHHAEJQA-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate (CID 58734503) is 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is KHMRUKJHHAEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)10(12)14-11(3,4)9-5-6-13-7-9/h9H,1,5-7H2,2-4H3.
What are the key properties of 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate?
2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 58734503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).