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

C20H34 — CID 143940150

IUPACethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
SMILESC=C/C=C(\C=C)Cc1ccccc1.CC.CC.CCC
InChIInChI=1S/C13H14.C3H8.2C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-3-2;2*1-2/h3-10H,1-2,11H2;3H2,1-2H3;2*1-2H3/b12-8+;;;
InChIKeyBHHQPDIGCUTVIO-ORBBEKEHSA-N
MW274.49 g/mol
LogP7.00
Rot. Bonds4

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

ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane (PubChem CID 143940150) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane.

Molecular Properties

Compound Nameethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
PubChem CID143940150
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Nameethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
SMILESC=C/C=C(\C=C)Cc1ccccc1.CC.CC.CCC
InChIInChI=1S/C13H14.C3H8.2C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-3-2;2*1-2/h3-10H,1-2,11H2;3H2,1-2H3;2*1-2H3/b12-8+;;;
InChIKeyBHHQPDIGCUTVIO-ORBBEKEHSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 57.00
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;propane?
The IUPAC name of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane (CID 143940150) is ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane.
What is the SMILES notation for ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane?
The canonical SMILES for ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane is C=C/C=C(\C=C)Cc1ccccc1.CC.CC.CCC.
What is the InChIKey of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane?
The InChIKey is BHHQPDIGCUTVIO-ORBBEKEHSA-N. The full InChI is InChI=1S/C13H14.C3H8.2C2H6/c1-3-8-12(4-2)11-13-9-6-5-7-10-13;1-3-2;2*1-2/h3-10H,1-2,11H2;3H2,1-2H3;2*1-2H3/b12-8+;;;.
What are the key properties of ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane?
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane has a molecular weight of 274.49 g/mol, XLogP of 7.00, 4 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;propane is sourced from PubChem (CID 143940150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).