1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane

C17H24 — CID 142017394

IUPAC1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane
SMILESC.C=C(/C=C\C(C)=C/C)c1ccc(CC)cc1
InChIInChI=1S/C16H20.CH4/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16;/h5,7-12H,4,6H2,1-3H3;1H4/b8-7-,13-5-;
InChIKeyAKJRDZBTWGVDGL-IRGQHOHYSA-N
MW228.38 g/mol
LogP5.42
Rot. Bonds4

About 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane

1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane (PubChem CID 142017394) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane.

Molecular Properties

Compound Name1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane
PubChem CID142017394
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane
SMILESC.C=C(/C=C\C(C)=C/C)c1ccc(CC)cc1
InChIInChI=1S/C16H20.CH4/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16;/h5,7-12H,4,6H2,1-3H3;1H4/b8-7-,13-5-;
InChIKeyAKJRDZBTWGVDGL-IRGQHOHYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.42
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 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane?
The IUPAC name of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane (CID 142017394) is 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane.
What is the SMILES notation for 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane?
The canonical SMILES for 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane is C.C=C(/C=C\C(C)=C/C)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane?
The InChIKey is AKJRDZBTWGVDGL-IRGQHOHYSA-N. The full InChI is InChI=1S/C16H20.CH4/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16;/h5,7-12H,4,6H2,1-3H3;1H4/b8-7-,13-5-;.
What are the key properties of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane?
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane has a molecular weight of 228.38 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane is sourced from PubChem (CID 142017394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).