5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one

C11H14O2 — CID 123575965

IUPAC5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one
SMILESC=CC1=C(C=CC)OC(=O)CC1C
InChIInChI=1S/C11H14O2/c1-4-6-10-9(5-2)8(3)7-11(12)13-10/h4-6,8H,2,7H2,1,3H3
InChIKeyVABBBHSOYBMVTA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.59
Rot. Bonds2

About 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one

5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one (PubChem CID 123575965) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one
PubChem CID123575965
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one
SMILESC=CC1=C(C=CC)OC(=O)CC1C
InChIInChI=1S/C11H14O2/c1-4-6-10-9(5-2)8(3)7-11(12)13-10/h4-6,8H,2,7H2,1,3H3
InChIKeyVABBBHSOYBMVTA-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one?
The IUPAC name of 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one (CID 123575965) is 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one.
What is the SMILES notation for 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one?
The canonical SMILES for 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one is C=CC1=C(C=CC)OC(=O)CC1C.
What is the InChIKey of 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one?
The InChIKey is VABBBHSOYBMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-6-10-9(5-2)8(3)7-11(12)13-10/h4-6,8H,2,7H2,1,3H3.
What are the key properties of 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one?
5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-6-prop-1-enyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 123575965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).