ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene

C21H30 — CID 145283971

IUPACethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.C=C/C=C(\C=C)Cc1ccccc1.CC
InChIInChI=1S/C13H14.C6H10.C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-3-5-6-4-2;1-2/h3-10H,1-2,11H2;3-6H,1-2H3;1-2H3/b12-8+;5-3-,6-4-;
InChIKeyRIZMOHXAYXVQEW-RQZOFLDTSA-N
MW282.47 g/mol
LogP6.69
Rot. Bonds5

About ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene

ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene (PubChem CID 145283971) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene.

Molecular Properties

Compound Nameethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
PubChem CID145283971
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Nameethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.C=C/C=C(\C=C)Cc1ccccc1.CC
InChIInChI=1S/C13H14.C6H10.C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-3-5-6-4-2;1-2/h3-10H,1-2,11H2;3-6H,1-2H3;1-2H3/b12-8+;5-3-,6-4-;
InChIKeyRIZMOHXAYXVQEW-RQZOFLDTSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene?
The IUPAC name of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene (CID 145283971) is ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene.
What is the SMILES notation for ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene?
The canonical SMILES for ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene is C/C=C\C=C/C.C=C/C=C(\C=C)Cc1ccccc1.CC.
What is the InChIKey of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene?
The InChIKey is RIZMOHXAYXVQEW-RQZOFLDTSA-N. The full InChI is InChI=1S/C13H14.C6H10.C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-3-5-6-4-2;1-2/h3-10H,1-2,11H2;3-6H,1-2H3;1-2H3/b12-8+;5-3-,6-4-;.
What are the key properties of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene?
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene has a molecular weight of 282.47 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene is sourced from PubChem (CID 145283971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).