(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene

C15H18 — CID 174021215

IUPAC(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
SMILESC=C/C=C\C(=C(/C)C=C)\C(C=C)=C\C=C
InChIInChI=1S/C15H18/c1-6-10-12-15(13(5)8-3)14(9-4)11-7-2/h6-12H,1-4H2,5H3/b12-10-,14-11-,15-13-
InChIKeyDQLOBJXIIPYTAH-NFIFNRMFSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds6

About (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene

(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene (PubChem CID 174021215) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
PubChem CID174021215
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
SMILESC=C/C=C\C(=C(/C)C=C)\C(C=C)=C\C=C
InChIInChI=1S/C15H18/c1-6-10-12-15(13(5)8-3)14(9-4)11-7-2/h6-12H,1-4H2,5H3/b12-10-,14-11-,15-13-
InChIKeyDQLOBJXIIPYTAH-NFIFNRMFSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
CID 170231380
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene
CID 144588079
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
CID 130205003
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
CID 151199646

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene?
The IUPAC name of (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene (CID 174021215) is (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene.
What is the SMILES notation for (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene?
The canonical SMILES for (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene is C=C/C=C\C(=C(/C)C=C)\C(C=C)=C\C=C.
What is the InChIKey of (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene?
The InChIKey is DQLOBJXIIPYTAH-NFIFNRMFSA-N. The full InChI is InChI=1S/C15H18/c1-6-10-12-15(13(5)8-3)14(9-4)11-7-2/h6-12H,1-4H2,5H3/b12-10-,14-11-,15-13-.
What are the key properties of (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene?
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene is sourced from PubChem (CID 174021215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).