(6-oxooxan-2-yl)methyl 2-methylprop-2-enoate

C10H14O4 — CID 20736083

IUPAC(6-oxooxan-2-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCC(=O)O1
InChIInChI=1S/C10H14O4/c1-7(2)10(12)13-6-8-4-3-5-9(11)14-8/h8H,1,3-6H2,2H3
InChIKeyPUQUNKPMFPDBOY-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds3

About (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate

(6-oxooxan-2-yl)methyl 2-methylprop-2-enoate (PubChem CID 20736083) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-oxooxan-2-yl)methyl 2-methylprop-2-enoate
PubChem CID20736083
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(6-oxooxan-2-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCC(=O)O1
InChIInChI=1S/C10H14O4/c1-7(2)10(12)13-6-8-4-3-5-9(11)14-8/h8H,1,3-6H2,2H3
InChIKeyPUQUNKPMFPDBOY-UHFFFAOYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate (CID 20736083) is (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCCC(=O)O1.
What is the InChIKey of (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate?
The InChIKey is PUQUNKPMFPDBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(2)10(12)13-6-8-4-3-5-9(11)14-8/h8H,1,3-6H2,2H3.
What are the key properties of (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate?
(6-oxooxan-2-yl)methyl 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxooxan-2-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 20736083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).