1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene

C16H22 — CID 123469974

IUPAC1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene
SMILESC=CC(=C(C)c1ccccc1CC)C(C)C
InChIInChI=1S/C16H22/c1-6-14-10-8-9-11-16(14)13(5)15(7-2)12(3)4/h7-12H,2,6H2,1,3-5H3
InChIKeyVELRYQXONAWEMM-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.86
Rot. Bonds4

About 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene

1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene (PubChem CID 123469974) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene
PubChem CID123469974
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene
SMILESC=CC(=C(C)c1ccccc1CC)C(C)C
InChIInChI=1S/C16H22/c1-6-14-10-8-9-11-16(14)13(5)15(7-2)12(3)4/h7-12H,2,6H2,1,3-5H3
InChIKeyVELRYQXONAWEMM-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.86
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-2-(3-methylocta-1,3-dien-4-yl)benzene
CID 173408887
[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
CID 145499472
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
2-ethylbenzoic acid;tungsten
CID 23518478
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
S-(2-ethylphenyl) prop-2-enethioate
CID 175247853
1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1-buta-1,3-dien-2-yl-2-(2-ethylphenyl)benzene;ethane;methane;prop-1-ene
CID 145340026
N-(4-chlorobutan-2-yl)-2-ethylbenzamide
CID 83179695
propan-2-yl 2-ethylbenzenecarboperoxoate
CID 90357464

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene?
The IUPAC name of 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene (CID 123469974) is 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene.
What is the SMILES notation for 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene?
The canonical SMILES for 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene is C=CC(=C(C)c1ccccc1CC)C(C)C.
What is the InChIKey of 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene?
The InChIKey is VELRYQXONAWEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-6-14-10-8-9-11-16(14)13(5)15(7-2)12(3)4/h7-12H,2,6H2,1,3-5H3.
What are the key properties of 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene?
1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene has a molecular weight of 214.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene is sourced from PubChem (CID 123469974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).