6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one

C11H14O2 — CID 155711315

IUPAC6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
SMILESC=CC1=C(/C=C\C)C(=O)C(C)CO1
InChIInChI=1S/C11H14O2/c1-4-6-9-10(5-2)13-7-8(3)11(9)12/h4-6,8H,2,7H2,1,3H3/b6-4-
InChIKeySOHVGGYOMVOTGI-XQRVVYSFSA-N
MW178.23 g/mol
LogP2.24
Rot. Bonds2

About 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one

6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one (PubChem CID 155711315) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
PubChem CID155711315
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
SMILESC=CC1=C(/C=C\C)C(=O)C(C)CO1
InChIInChI=1S/C11H14O2/c1-4-6-9-10(5-2)13-7-8(3)11(9)12/h4-6,8H,2,7H2,1,3H3/b6-4-
InChIKeySOHVGGYOMVOTGI-XQRVVYSFSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one?
The IUPAC name of 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one (CID 155711315) is 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one is C=CC1=C(/C=C\C)C(=O)C(C)CO1.
What is the InChIKey of 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one?
The InChIKey is SOHVGGYOMVOTGI-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-6-9-10(5-2)13-7-8(3)11(9)12/h4-6,8H,2,7H2,1,3H3/b6-4-.
What are the key properties of 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one?
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one has a molecular weight of 178.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 155711315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).