ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane

C25H36 — CID 142497192

IUPACethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
SMILESC.C=C/C=C(\C=C/C)c1ccc(-c2ccccc2)cc1.CC.CCC
InChIInChI=1S/C19H18.C3H8.C2H6.CH4/c1-3-8-16(9-4-2)18-12-14-19(15-13-18)17-10-6-5-7-11-17;1-3-2;1-2;/h3-15H,1H2,2H3;3H2,1-2H3;1-2H3;1H4/b9-4-,16-8+;;;
InChIKeyUFQMSIQBFPHMGB-PBFVRPNASA-N
MW336.56 g/mol
LogP8.58
Rot. Bonds4

About ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane

ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane (PubChem CID 142497192) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane.

Molecular Properties

Compound Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
PubChem CID142497192
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
SMILESC.C=C/C=C(\C=C/C)c1ccc(-c2ccccc2)cc1.CC.CCC
InChIInChI=1S/C19H18.C3H8.C2H6.CH4/c1-3-8-16(9-4-2)18-12-14-19(15-13-18)17-10-6-5-7-11-17;1-3-2;1-2;/h3-15H,1H2,2H3;3H2,1-2H3;1-2H3;1H4/b9-4-,16-8+;;;
InChIKeyUFQMSIQBFPHMGB-PBFVRPNASA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 58.58
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;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane?
The IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane (CID 142497192) is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane.
What is the SMILES notation for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane?
The canonical SMILES for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane is C.C=C/C=C(\C=C/C)c1ccc(-c2ccccc2)cc1.CC.CCC.
What is the InChIKey of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane?
The InChIKey is UFQMSIQBFPHMGB-PBFVRPNASA-N. The full InChI is InChI=1S/C19H18.C3H8.C2H6.CH4/c1-3-8-16(9-4-2)18-12-14-19(15-13-18)17-10-6-5-7-11-17;1-3-2;1-2;/h3-15H,1H2,2H3;3H2,1-2H3;1-2H3;1H4/b9-4-,16-8+;;;.
What are the key properties of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane?
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane has a molecular weight of 336.56 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane is sourced from PubChem (CID 142497192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).