1-decan-2-yloxyethylbenzene

C18H30O — CID 102455455

IUPAC1-decan-2-yloxyethylbenzene
SMILESCCCCCCCCC(C)OC(C)c1ccccc1
InChIInChI=1S/C18H30O/c1-4-5-6-7-8-10-13-16(2)19-17(3)18-14-11-9-12-15-18/h9,11-12,14-17H,4-8,10,13H2,1-3H3
InChIKeyKGJFXQSDSZSOOW-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.90
Rot. Bonds10

About 1-decan-2-yloxyethylbenzene

1-decan-2-yloxyethylbenzene (PubChem CID 102455455) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-decan-2-yloxyethylbenzene.

Molecular Properties

Compound Name1-decan-2-yloxyethylbenzene
PubChem CID102455455
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-decan-2-yloxyethylbenzene
SMILESCCCCCCCCC(C)OC(C)c1ccccc1
InChIInChI=1S/C18H30O/c1-4-5-6-7-8-10-13-16(2)19-17(3)18-14-11-9-12-15-18/h9,11-12,14-17H,4-8,10,13H2,1-3H3
InChIKeyKGJFXQSDSZSOOW-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421
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3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine
CID 43127446
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
decan-2-yloxybenzene
CID 12838331
triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane
CID 102278322
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-phenylethyl 2-methyloctanoate
CID 121241177
1-phenylethyl 2-butyloctanoate
CID 129279140
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of 1-decan-2-yloxyethylbenzene?
The IUPAC name of 1-decan-2-yloxyethylbenzene (CID 102455455) is 1-decan-2-yloxyethylbenzene.
What is the SMILES notation for 1-decan-2-yloxyethylbenzene?
The canonical SMILES for 1-decan-2-yloxyethylbenzene is CCCCCCCCC(C)OC(C)c1ccccc1.
What is the InChIKey of 1-decan-2-yloxyethylbenzene?
The InChIKey is KGJFXQSDSZSOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-5-6-7-8-10-13-16(2)19-17(3)18-14-11-9-12-15-18/h9,11-12,14-17H,4-8,10,13H2,1-3H3.
What are the key properties of 1-decan-2-yloxyethylbenzene?
1-decan-2-yloxyethylbenzene has a molecular weight of 262.44 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-2-yloxyethylbenzene is sourced from PubChem (CID 102455455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).