(2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate

C10H14O3 — CID 67928178

IUPAC(2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC=CO1
InChIInChI=1S/C10H14O3/c1-8(2)9(11)13-10(3)6-4-5-7-12-10/h5,7H,1,4,6H2,2-3H3
InChIKeyRGBKVPATWNKMKV-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.15
Rot. Bonds2

About (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate

(2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate (PubChem CID 67928178) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate
PubChem CID67928178
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC=CO1
InChIInChI=1S/C10H14O3/c1-8(2)9(11)13-10(3)6-4-5-7-12-10/h5,7H,1,4,6H2,2-3H3
InChIKeyRGBKVPATWNKMKV-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.15
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-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate (CID 67928178) is (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCC=CO1.
What is the InChIKey of (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate?
The InChIKey is RGBKVPATWNKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(2)9(11)13-10(3)6-4-5-7-12-10/h5,7H,1,4,6H2,2-3H3.
What are the key properties of (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate?
(2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydropyran-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 67928178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).