3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran

C11H14O — CID 142279284

IUPAC3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran
SMILESC=CC1=C(C(=C)C)C(=C)COC1
InChIInChI=1S/C11H14O/c1-5-10-7-12-6-9(4)11(10)8(2)3/h5H,1-2,4,6-7H2,3H3
InChIKeyDCYQMCHTXHRALX-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.63
Rot. Bonds2

About 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran

3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran (PubChem CID 142279284) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran.

Molecular Properties

Compound Name3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran
PubChem CID142279284
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran
SMILESC=CC1=C(C(=C)C)C(=C)COC1
InChIInChI=1S/C11H14O/c1-5-10-7-12-6-9(4)11(10)8(2)3/h5H,1-2,4,6-7H2,3H3
InChIKeyDCYQMCHTXHRALX-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran?
The IUPAC name of 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran (CID 142279284) is 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran.
What is the SMILES notation for 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran?
The canonical SMILES for 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran is C=CC1=C(C(=C)C)C(=C)COC1.
What is the InChIKey of 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran?
The InChIKey is DCYQMCHTXHRALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-5-10-7-12-6-9(4)11(10)8(2)3/h5H,1-2,4,6-7H2,3H3.
What are the key properties of 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran?
3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran has a molecular weight of 162.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methylidene-4-prop-1-en-2-yl-2H-pyran is sourced from PubChem (CID 142279284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).