1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene

C16H22 — CID 144535751

IUPAC1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene
SMILESC/C=C(CC)\C(=C\C)c1ccccc1CC
InChIInChI=1S/C16H22/c1-5-13(6-2)15(8-4)16-12-10-9-11-14(16)7-3/h5,8-12H,6-7H2,1-4H3/b13-5-,15-8-
InChIKeyGHZWKADPCARMAK-OPZOBIAHSA-N
MW214.35 g/mol
LogP5.01
Rot. Bonds4

About 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene

1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene (PubChem CID 144535751) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene
PubChem CID144535751
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene
SMILESC/C=C(CC)\C(=C\C)c1ccccc1CC
InChIInChI=1S/C16H22/c1-5-13(6-2)15(8-4)16-12-10-9-11-14(16)7-3/h5,8-12H,6-7H2,1-4H3/b13-5-,15-8-
InChIKeyGHZWKADPCARMAK-OPZOBIAHSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.01
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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene?
The IUPAC name of 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene (CID 144535751) is 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene.
What is the SMILES notation for 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene?
The canonical SMILES for 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene is C/C=C(CC)\C(=C\C)c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene?
The InChIKey is GHZWKADPCARMAK-OPZOBIAHSA-N. The full InChI is InChI=1S/C16H22/c1-5-13(6-2)15(8-4)16-12-10-9-11-14(16)7-3/h5,8-12H,6-7H2,1-4H3/b13-5-,15-8-.
What are the key properties of 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene?
1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene has a molecular weight of 214.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene is sourced from PubChem (CID 144535751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).