1-decan-2-yl-3-ethylbenzene

C18H30 — CID 123801933

IUPAC1-decan-2-yl-3-ethylbenzene
SMILESCCCCCCCCC(C)c1cccc(CC)c1
InChIInChI=1S/C18H30/c1-4-6-7-8-9-10-12-16(3)18-14-11-13-17(5-2)15-18/h11,13-16H,4-10,12H2,1-3H3
InChIKeyUPDYXDOYPQWJFH-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.10
Rot. Bonds9

About 1-decan-2-yl-3-ethylbenzene

1-decan-2-yl-3-ethylbenzene (PubChem CID 123801933) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-decan-2-yl-3-ethylbenzene.

Molecular Properties

Compound Name1-decan-2-yl-3-ethylbenzene
PubChem CID123801933
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-decan-2-yl-3-ethylbenzene
SMILESCCCCCCCCC(C)c1cccc(CC)c1
InChIInChI=1S/C18H30/c1-4-6-7-8-9-10-12-16(3)18-14-11-13-17(5-2)15-18/h11,13-16H,4-10,12H2,1-3H3
InChIKeyUPDYXDOYPQWJFH-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.10
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

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1-butan-2-yl-3-ethylbenzene
CID 528681
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
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CID 70428622
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CID 115838202
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
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CID 76764597
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Frequently Asked Questions

What is the IUPAC name of 1-decan-2-yl-3-ethylbenzene?
The IUPAC name of 1-decan-2-yl-3-ethylbenzene (CID 123801933) is 1-decan-2-yl-3-ethylbenzene.
What is the SMILES notation for 1-decan-2-yl-3-ethylbenzene?
The canonical SMILES for 1-decan-2-yl-3-ethylbenzene is CCCCCCCCC(C)c1cccc(CC)c1.
What is the InChIKey of 1-decan-2-yl-3-ethylbenzene?
The InChIKey is UPDYXDOYPQWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-4-6-7-8-9-10-12-16(3)18-14-11-13-17(5-2)15-18/h11,13-16H,4-10,12H2,1-3H3.
What are the key properties of 1-decan-2-yl-3-ethylbenzene?
1-decan-2-yl-3-ethylbenzene has a molecular weight of 246.44 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-2-yl-3-ethylbenzene is sourced from PubChem (CID 123801933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).