1-ethyl-4-undecan-4-ylbenzene

C19H32 — CID 14568440

IUPAC1-ethyl-4-undecan-4-ylbenzene
SMILESCCCCCCCC(CCC)c1ccc(CC)cc1
InChIInChI=1S/C19H32/c1-4-7-8-9-10-12-18(11-5-2)19-15-13-17(6-3)14-16-19/h13-16,18H,4-12H2,1-3H3
InChIKeyDBPMYZDVFBYBDK-UHFFFAOYSA-N
MW260.47 g/mol
LogP6.49
Rot. Bonds10

About 1-ethyl-4-undecan-4-ylbenzene

1-ethyl-4-undecan-4-ylbenzene (PubChem CID 14568440) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is 1-ethyl-4-undecan-4-ylbenzene.

Molecular Properties

Compound Name1-ethyl-4-undecan-4-ylbenzene
PubChem CID14568440
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Name1-ethyl-4-undecan-4-ylbenzene
SMILESCCCCCCCC(CCC)c1ccc(CC)cc1
InChIInChI=1S/C19H32/c1-4-7-8-9-10-12-18(11-5-2)19-15-13-17(6-3)14-16-19/h13-16,18H,4-12H2,1-3H3
InChIKeyDBPMYZDVFBYBDK-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-dodecan-6-ylphenyl)methanamine
CID 130348260
1-(4-ethylphenyl)decan-1-amine
CID 63412475
4-hexadecan-7-ylphenol
CID 71320883
1,4-diethylbenzene;heptane
CID 175370860
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-methyl-4-undecan-6-ylbenzene
CID 54207407
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
sodium 4-hexadecan-4-ylbenzenesulfonate
CID 164851731
1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene
CID 144851455
4-undecan-6-ylphenol
CID 66867197
4-[1-(4-ethylphenyl)heptyl]aniline
CID 67687231

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-undecan-4-ylbenzene?
The IUPAC name of 1-ethyl-4-undecan-4-ylbenzene (CID 14568440) is 1-ethyl-4-undecan-4-ylbenzene.
What is the SMILES notation for 1-ethyl-4-undecan-4-ylbenzene?
The canonical SMILES for 1-ethyl-4-undecan-4-ylbenzene is CCCCCCCC(CCC)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-undecan-4-ylbenzene?
The InChIKey is DBPMYZDVFBYBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-4-7-8-9-10-12-18(11-5-2)19-15-13-17(6-3)14-16-19/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-ethyl-4-undecan-4-ylbenzene?
1-ethyl-4-undecan-4-ylbenzene has a molecular weight of 260.47 g/mol, XLogP of 6.49, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-undecan-4-ylbenzene is sourced from PubChem (CID 14568440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).