3-ethylundecylbenzene

C19H32 — CID 101046196

IUPAC3-ethylundecylbenzene
SMILESCCCCCCCCC(CC)CCc1ccccc1
InChIInChI=1S/C19H32/c1-3-5-6-7-8-10-13-18(4-2)16-17-19-14-11-9-12-15-19/h9,11-12,14-15,18H,3-8,10,13,16-17H2,1-2H3
InChIKeyCZFLESIFMYKJSL-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.40
Rot. Bonds11

About 3-ethylundecylbenzene

3-ethylundecylbenzene (PubChem CID 101046196) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 3-ethylundecylbenzene.

Molecular Properties

Compound Name3-ethylundecylbenzene
PubChem CID101046196
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name3-ethylundecylbenzene
SMILESCCCCCCCCC(CC)CCc1ccccc1
InChIInChI=1S/C19H32/c1-3-5-6-7-8-10-13-18(4-2)16-17-19-14-11-9-12-15-19/h9,11-12,14-15,18H,3-8,10,13,16-17H2,1-2H3
InChIKeyCZFLESIFMYKJSL-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.40
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

3-prop-2-enylnonadecylbenzene
CID 173349260
1-(6-ethyloctyl)-4-octylbenzene
CID 142518839
2-benzyltetradecylbenzene
CID 22920205
methyl (3R)-3-(2-phenylethyl)decanoate
CID 102157695
6-benzyldecylbenzene
CID 54156815
5-ethyl-1-phenylnonan-3-amine
CID 63417135
potassium;hydride;octadecylbenzene
CID 173344678
sodium;hydride;pentadecylbenzene
CID 173461904
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of 3-ethylundecylbenzene?
The IUPAC name of 3-ethylundecylbenzene (CID 101046196) is 3-ethylundecylbenzene.
What is the SMILES notation for 3-ethylundecylbenzene?
The canonical SMILES for 3-ethylundecylbenzene is CCCCCCCCC(CC)CCc1ccccc1.
What is the InChIKey of 3-ethylundecylbenzene?
The InChIKey is CZFLESIFMYKJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-6-7-8-10-13-18(4-2)16-17-19-14-11-9-12-15-19/h9,11-12,14-15,18H,3-8,10,13,16-17H2,1-2H3.
What are the key properties of 3-ethylundecylbenzene?
3-ethylundecylbenzene has a molecular weight of 260.46 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylundecylbenzene is sourced from PubChem (CID 101046196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).