ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene

C22H32 — CID 144868039

IUPACethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene
SMILESC=C/C=C1/CC(/C=C\C=C\C)=C(C=C)C/C1=C/C(C)C.CC
InChIInChI=1S/C20H26.C2H6/c1-6-9-10-12-19-15-18(11-7-2)20(13-16(4)5)14-17(19)8-3;1-2/h6-13,16H,2-3,14-15H2,1,4-5H3;1-2H3/b9-6+,12-10-,18-11-,20-13-;
InChIKeyXINQUCLTYOBATC-CTEFRZBVSA-N
MW296.50 g/mol
LogP7.12
Rot. Bonds5

About ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene

ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene (PubChem CID 144868039) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene.

Molecular Properties

Compound Nameethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene
PubChem CID144868039
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Nameethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene
SMILESC=C/C=C1/CC(/C=C\C=C\C)=C(C=C)C/C1=C/C(C)C.CC
InChIInChI=1S/C20H26.C2H6/c1-6-9-10-12-19-15-18(11-7-2)20(13-16(4)5)14-17(19)8-3;1-2/h6-13,16H,2-3,14-15H2,1,4-5H3;1-2H3/b9-6+,12-10-,18-11-,20-13-;
InChIKeyXINQUCLTYOBATC-CTEFRZBVSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene with MolForge

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Related Compounds

(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
CID 144783390
2-ethylidene-3-prop-2-enylidenethiolane
CID 123580390
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene;ethane;(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfanylhepta-1,3,5-triene
CID 144783389
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene
CID 142902876
(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
CID 21351129
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene?
The IUPAC name of ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene (CID 144868039) is ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene.
What is the SMILES notation for ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene?
The canonical SMILES for ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene is C=C/C=C1/CC(/C=C\C=C\C)=C(C=C)C/C1=C/C(C)C.CC.
What is the InChIKey of ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene?
The InChIKey is XINQUCLTYOBATC-CTEFRZBVSA-N. The full InChI is InChI=1S/C20H26.C2H6/c1-6-9-10-12-19-15-18(11-7-2)20(13-16(4)5)14-17(19)8-3;1-2/h6-13,16H,2-3,14-15H2,1,4-5H3;1-2H3/b9-6+,12-10-,18-11-,20-13-;.
What are the key properties of ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene?
ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene has a molecular weight of 296.50 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene is sourced from PubChem (CID 144868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).