(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran

C15H18O — CID 155095674

IUPAC(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran
SMILESC=C/C=C1/C=C(C=C)/C(=C\CC)O/C1=C/C
InChIInChI=1S/C15H18O/c1-5-9-13-11-12(7-3)15(10-6-2)16-14(13)8-4/h5,7-11H,1,3,6H2,2,4H3/b13-9-,14-8+,15-10+
InChIKeyTUYODRVUGMZVQA-RONJBYDDSA-N
MW214.31 g/mol
LogP4.44
Rot. Bonds3

About (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran

(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran (PubChem CID 155095674) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran.

Molecular Properties

Compound Name(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran
PubChem CID155095674
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran
SMILESC=C/C=C1/C=C(C=C)/C(=C\CC)O/C1=C/C
InChIInChI=1S/C15H18O/c1-5-9-13-11-12(7-3)15(10-6-2)16-14(13)8-4/h5,7-11H,1,3,6H2,2,4H3/b13-9-,14-8+,15-10+
InChIKeyTUYODRVUGMZVQA-RONJBYDDSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran
CID 143812844
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
(4E,5E)-4-ethylidene-5-propylidene-1,3-dioxolane
CID 88980689
ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
CID 143106531
2-propylidene-1,3-dioxole
CID 141300846
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
(1Z,2Z)-1-prop-2-enylidene-2-propylidenecyclohexane
CID 143194645
2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143203794
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-phenyl-5-prop-2-enylidene-1,4-oxazine
CID 145446589
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
CID 171634183
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807

Frequently Asked Questions

What is the IUPAC name of (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran?
The IUPAC name of (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran (CID 155095674) is (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran.
What is the SMILES notation for (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran?
The canonical SMILES for (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran is C=C/C=C1/C=C(C=C)/C(=C\CC)O/C1=C/C.
What is the InChIKey of (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran?
The InChIKey is TUYODRVUGMZVQA-RONJBYDDSA-N. The full InChI is InChI=1S/C15H18O/c1-5-9-13-11-12(7-3)15(10-6-2)16-14(13)8-4/h5,7-11H,1,3,6H2,2,4H3/b13-9-,14-8+,15-10+.
What are the key properties of (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran?
(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran has a molecular weight of 214.31 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran is sourced from PubChem (CID 155095674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).