(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene

C17H22 — CID 145151868

IUPAC(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
SMILESC=C/C=C(\C=C/C)C(/C=C\C=C\C)=C/C=C\C
InChIInChI=1S/C17H22/c1-5-9-11-15-17(14-10-6-2)16(12-7-3)13-8-4/h5-15H,3H2,1-2,4H3/b9-5+,10-6-,13-8-,15-11-,16-12+,17-14+
InChIKeyPRWNFIAPAYGKPV-PVDGRMGLSA-N
MW226.36 g/mol
LogP5.31
Rot. Bonds6

About (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene

(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene (PubChem CID 145151868) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
PubChem CID145151868
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
SMILESC=C/C=C(\C=C/C)C(/C=C\C=C\C)=C/C=C\C
InChIInChI=1S/C17H22/c1-5-9-11-15-17(14-10-6-2)16(12-7-3)13-8-4/h5-15H,3H2,1-2,4H3/b9-5+,10-6-,13-8-,15-11-,16-12+,17-14+
InChIKeyPRWNFIAPAYGKPV-PVDGRMGLSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.31
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

4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
ethane;(2E,4Z)-2-[(Z)-prop-1-enyl]-1-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]-1,4-diazepan-1-yl]hexa-2,4-dien-1-one
CID 143859704
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528

Frequently Asked Questions

What is the IUPAC name of (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene?
The IUPAC name of (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene (CID 145151868) is (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene.
What is the SMILES notation for (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene?
The canonical SMILES for (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene is C=C/C=C(\C=C/C)C(/C=C\C=C\C)=C/C=C\C.
What is the InChIKey of (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene?
The InChIKey is PRWNFIAPAYGKPV-PVDGRMGLSA-N. The full InChI is InChI=1S/C17H22/c1-5-9-11-15-17(14-10-6-2)16(12-7-3)13-8-4/h5-15H,3H2,1-2,4H3/b9-5+,10-6-,13-8-,15-11-,16-12+,17-14+.
What are the key properties of (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene?
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene has a molecular weight of 226.36 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene is sourced from PubChem (CID 145151868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).