ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene

C22H30 — CID 143620405

IUPACethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=CC1=C(/C=C\C)C(=C)C(/C(=C\C=C/C)C(=C)C)=C1C.CC
InChIInChI=1S/C20H24.C2H6/c1-8-11-13-18(14(4)5)20-15(6)17(10-3)19(12-9-2)16(20)7;1-2/h8-13H,3-4,7H2,1-2,5-6H3;1-2H3/b11-8-,12-9-,18-13-;
InChIKeyPXYQTUUZFYDZIV-BUPUNKLLSA-N
MW294.48 g/mol
LogP7.04
Rot. Bonds5

About ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene

ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 143620405) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
PubChem CID143620405
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Nameethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=CC1=C(/C=C\C)C(=C)C(/C(=C\C=C/C)C(=C)C)=C1C.CC
InChIInChI=1S/C20H24.C2H6/c1-8-11-13-18(14(4)5)20-15(6)17(10-3)19(12-9-2)16(20)7;1-2/h8-13H,3-4,7H2,1-2,5-6H3;1-2H3/b11-8-,12-9-,18-13-;
InChIKeyPXYQTUUZFYDZIV-BUPUNKLLSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene with MolForge

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Related Compounds

1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144789889
(5E)-5-[(Z)-but-2-enylidene]-2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]cyclohex-2-ene-1,4-dione;ethane
CID 144875528
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane
CID 163301264
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane
CID 142104561
1-[(1Z)-buta-1,3-dienyl]-3-ethynyl-2-methyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144521028
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene (CID 143620405) is ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene is C=CC1=C(/C=C\C)C(=C)C(/C(=C\C=C/C)C(=C)C)=C1C.CC.
What is the InChIKey of ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is PXYQTUUZFYDZIV-BUPUNKLLSA-N. The full InChI is InChI=1S/C20H24.C2H6/c1-8-11-13-18(14(4)5)20-15(6)17(10-3)19(12-9-2)16(20)7;1-2/h8-13H,3-4,7H2,1-2,5-6H3;1-2H3/b11-8-,12-9-,18-13-;.
What are the key properties of ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 143620405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).