1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene

C14H18 — CID 143743129

IUPAC1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
SMILESC=CC(=C(C)C)c1ccc(CC)cc1
InChIInChI=1S/C14H18/c1-5-12-7-9-13(10-8-12)14(6-2)11(3)4/h6-10H,2,5H2,1,3-4H3
InChIKeyKCYNXXSUXOBZEH-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.23
Rot. Bonds3

About 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene

1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene (PubChem CID 143743129) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
PubChem CID143743129
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
SMILESC=CC(=C(C)C)c1ccc(CC)cc1
InChIInChI=1S/C14H18/c1-5-12-7-9-13(10-8-12)14(6-2)11(3)4/h6-10H,2,5H2,1,3-4H3
InChIKeyKCYNXXSUXOBZEH-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.23
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

1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
CID 143819695
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 142515824
N-ethenyl-4-ethylbenzenecarbothioamide
CID 143154132
1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
CID 143774858
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
CID 142017395
N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
CID 149002722
1-(4-ethylphenyl)-N-propylethanimine
CID 146572817

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene?
The IUPAC name of 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene (CID 143743129) is 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene?
The canonical SMILES for 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene is C=CC(=C(C)C)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene?
The InChIKey is KCYNXXSUXOBZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-12-7-9-13(10-8-12)14(6-2)11(3)4/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene?
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene has a molecular weight of 186.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene is sourced from PubChem (CID 143743129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).