2H-pyran-6-yl 2-methylprop-2-enoate

C9H10O3 — CID 54181126

IUPAC2H-pyran-6-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CCO1
InChIInChI=1S/C9H10O3/c1-7(2)9(10)12-8-5-3-4-6-11-8/h3-5H,1,6H2,2H3
InChIKeyPBWGDTZDXPVSHZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.53
Rot. Bonds2

About 2H-pyran-6-yl 2-methylprop-2-enoate

2H-pyran-6-yl 2-methylprop-2-enoate (PubChem CID 54181126) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2H-pyran-6-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2H-pyran-6-yl 2-methylprop-2-enoate
PubChem CID54181126
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2H-pyran-6-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CCO1
InChIInChI=1S/C9H10O3/c1-7(2)9(10)12-8-5-3-4-6-11-8/h3-5H,1,6H2,2H3
InChIKeyPBWGDTZDXPVSHZ-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.53
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 2H-pyran-6-yl 2-methylprop-2-enoate?
The IUPAC name of 2H-pyran-6-yl 2-methylprop-2-enoate (CID 54181126) is 2H-pyran-6-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2H-pyran-6-yl 2-methylprop-2-enoate?
The canonical SMILES for 2H-pyran-6-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC=CCO1.
What is the InChIKey of 2H-pyran-6-yl 2-methylprop-2-enoate?
The InChIKey is PBWGDTZDXPVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7(2)9(10)12-8-5-3-4-6-11-8/h3-5H,1,6H2,2H3.
What are the key properties of 2H-pyran-6-yl 2-methylprop-2-enoate?
2H-pyran-6-yl 2-methylprop-2-enoate has a molecular weight of 166.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-6-yl 2-methylprop-2-enoate is sourced from PubChem (CID 54181126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).