ethane;[(3Z)-penta-1,3-dien-2-yl]benzene

C15H24 — CID 142853648

IUPACethane;[(3Z)-penta-1,3-dien-2-yl]benzene
SMILESC=C(/C=C\C)c1ccccc1.CC.CC
InChIInChI=1S/C11H12.2C2H6/c1-3-7-10(2)11-8-5-4-6-9-11;2*1-2/h3-9H,2H2,1H3;2*1-2H3/b7-3-;;
InChIKeyZWWHEYJFAHEMOF-NAMRTZQUSA-N
MW204.36 g/mol
LogP5.33
Rot. Bonds2

About ethane;[(3Z)-penta-1,3-dien-2-yl]benzene

ethane;[(3Z)-penta-1,3-dien-2-yl]benzene (PubChem CID 142853648) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;[(3Z)-penta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(3Z)-penta-1,3-dien-2-yl]benzene
PubChem CID142853648
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Nameethane;[(3Z)-penta-1,3-dien-2-yl]benzene
SMILESC=C(/C=C\C)c1ccccc1.CC.CC
InChIInChI=1S/C11H12.2C2H6/c1-3-7-10(2)11-8-5-4-6-9-11;2*1-2/h3-9H,2H2,1H3;2*1-2H3/b7-3-;;
InChIKeyZWWHEYJFAHEMOF-NAMRTZQUSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.33
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

ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144724093
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium
CID 143963198
1-phenylethenyl but-2-enoate
CID 68623165
2-penta-1,3-dien-2-ylphenol
CID 123148511
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
CID 173058434
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658

Frequently Asked Questions

What is the IUPAC name of ethane;[(3Z)-penta-1,3-dien-2-yl]benzene?
The IUPAC name of ethane;[(3Z)-penta-1,3-dien-2-yl]benzene (CID 142853648) is ethane;[(3Z)-penta-1,3-dien-2-yl]benzene.
What is the SMILES notation for ethane;[(3Z)-penta-1,3-dien-2-yl]benzene?
The canonical SMILES for ethane;[(3Z)-penta-1,3-dien-2-yl]benzene is C=C(/C=C\C)c1ccccc1.CC.CC.
What is the InChIKey of ethane;[(3Z)-penta-1,3-dien-2-yl]benzene?
The InChIKey is ZWWHEYJFAHEMOF-NAMRTZQUSA-N. The full InChI is InChI=1S/C11H12.2C2H6/c1-3-7-10(2)11-8-5-4-6-9-11;2*1-2/h3-9H,2H2,1H3;2*1-2H3/b7-3-;;.
What are the key properties of ethane;[(3Z)-penta-1,3-dien-2-yl]benzene?
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene has a molecular weight of 204.36 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3Z)-penta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 142853648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).