[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate

C14H20O2 — CID 138626057

IUPAC[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate
SMILESC=C/C=C(\C=C/C(=C)OC(C)=O)CCCC
InChIInChI=1S/C14H20O2/c1-5-7-9-14(8-6-2)11-10-12(3)16-13(4)15/h6,8,10-11H,2-3,5,7,9H2,1,4H3/b11-10-,14-8-
InChIKeyYMDCMWNCPYNTTO-CONYBLHQSA-N
MW220.31 g/mol
LogP3.92
Rot. Bonds7

About [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate

[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate (PubChem CID 138626057) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate.

Molecular Properties

Compound Name[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate
PubChem CID138626057
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate
SMILESC=C/C=C(\C=C/C(=C)OC(C)=O)CCCC
InChIInChI=1S/C14H20O2/c1-5-7-9-14(8-6-2)11-10-12(3)16-13(4)15/h6,8,10-11H,2-3,5,7,9H2,1,4H3/b11-10-,14-8-
InChIKeyYMDCMWNCPYNTTO-CONYBLHQSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
acetyl pentanoate;prop-2-enoic acid
CID 118526931
butyl (2Z)-2-acetyloxypenta-2,4-dienoate
CID 142643743
[(1Z)-1-octadecoxybuta-1,3-dienyl] acetate
CID 141066572
buta-1,3-dien-2-yl acetate
CID 13155985
4-methyldeca-1,3-diene-5,6-dione
CID 91542412
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
(3Z,5Z)-5-(3-methylsulfanylpropyl)octa-1,3,5,7-tetraen-2-ol
CID 154930188
methyl (2E)-3-methylidene-4-oxo-2-prop-2-enylideneoctanoate
CID 143103272
1-iodotridec-1-en-2-yl acetate
CID 173001585
(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine
CID 167457631
4-methylnona-1,3-diene
CID 71327710

Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate?
The IUPAC name of [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate (CID 138626057) is [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate.
What is the SMILES notation for [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate?
The canonical SMILES for [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate is C=C/C=C(\C=C/C(=C)OC(C)=O)CCCC.
What is the InChIKey of [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate?
The InChIKey is YMDCMWNCPYNTTO-CONYBLHQSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-7-9-14(8-6-2)11-10-12(3)16-13(4)15/h6,8,10-11H,2-3,5,7,9H2,1,4H3/b11-10-,14-8-.
What are the key properties of [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate?
[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate has a molecular weight of 220.31 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate is sourced from PubChem (CID 138626057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).