5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane

C17H26O — CID 142104561

IUPAC5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane
SMILESC=CC1=C(/C=C\C)C(/C(C)=C\C)=C(C)OC1.CC
InChIInChI=1S/C15H20O.C2H6/c1-6-9-14-13(8-3)10-16-12(5)15(14)11(4)7-2;1-2/h6-9H,3,10H2,1-2,4-5H3;1-2H3/b9-6-,11-7-;
InChIKeyYJSZRMUZGFHXHY-ZZVGJFHUSA-N
MW246.39 g/mol
LogP5.34
Rot. Bonds3

About 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane

5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane (PubChem CID 142104561) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane
PubChem CID142104561
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane
SMILESC=CC1=C(/C=C\C)C(/C(C)=C\C)=C(C)OC1.CC
InChIInChI=1S/C15H20O.C2H6/c1-6-9-14-13(8-3)10-16-12(5)15(14)11(4)7-2;1-2/h6-9H,3,10H2,1-2,4-5H3;1-2H3/b9-6-,11-7-;
InChIKeyYJSZRMUZGFHXHY-ZZVGJFHUSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane with MolForge

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Related Compounds

ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole
CID 142986985
3-[(E,3S)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 169491582
ethane;1-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3,6,7-tetrahydroazepin-1-yl]ethanone
CID 145342041
ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 143520012
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510
ethane;6-ethenyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
CID 145208551
CID 165410063
CID 165410063
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 155711315
3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143180864
1-(2-methyl-4-methylidenefuran-3-yl)ethanone
CID 86116362
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
CID 143141932

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane (CID 142104561) is 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane is C=CC1=C(/C=C\C)C(/C(C)=C\C)=C(C)OC1.CC.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane?
The InChIKey is YJSZRMUZGFHXHY-ZZVGJFHUSA-N. The full InChI is InChI=1S/C15H20O.C2H6/c1-6-9-14-13(8-3)10-16-12(5)15(14)11(4)7-2;1-2/h6-9H,3,10H2,1-2,4-5H3;1-2H3/b9-6-,11-7-;.
What are the key properties of 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane?
5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane has a molecular weight of 246.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane is sourced from PubChem (CID 142104561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).