1-ethoxydecylbenzene

C18H30O — CID 71423896

IUPAC1-ethoxydecylbenzene
SMILESCCCCCCCCCC(OCC)c1ccccc1
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-13-16-18(19-4-2)17-14-11-10-12-15-17/h10-12,14-15,18H,3-9,13,16H2,1-2H3
InChIKeyKQGABGXGOVCINQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.90
Rot. Bonds11

About 1-ethoxydecylbenzene

1-ethoxydecylbenzene (PubChem CID 71423896) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-ethoxydecylbenzene.

Molecular Properties

Compound Name1-ethoxydecylbenzene
PubChem CID71423896
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-ethoxydecylbenzene
SMILESCCCCCCCCCC(OCC)c1ccccc1
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-13-16-18(19-4-2)17-14-11-10-12-15-17/h10-12,14-15,18H,3-9,13,16H2,1-2H3
InChIKeyKQGABGXGOVCINQ-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
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

1-dodecoxyhexylbenzene
CID 174774790
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-pentoxybutylbenzene
CID 173061669
bis(1-phenyloctyl) carbonate
CID 67179048
1-phenylnonyl formate
CID 174585088
1-phenyldodecyl formate
CID 91598065
1-phenylheptyl formate
CID 174746901
1-phenylheptylphosphane
CID 174874892
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
tris(1-phenylhexyl) phosphate
CID 69250581
1-(2-methoxyethoxy)pentylbenzene
CID 10977044

Frequently Asked Questions

What is the IUPAC name of 1-ethoxydecylbenzene?
The IUPAC name of 1-ethoxydecylbenzene (CID 71423896) is 1-ethoxydecylbenzene.
What is the SMILES notation for 1-ethoxydecylbenzene?
The canonical SMILES for 1-ethoxydecylbenzene is CCCCCCCCCC(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxydecylbenzene?
The InChIKey is KQGABGXGOVCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-6-7-8-9-13-16-18(19-4-2)17-14-11-10-12-15-17/h10-12,14-15,18H,3-9,13,16H2,1-2H3.
What are the key properties of 1-ethoxydecylbenzene?
1-ethoxydecylbenzene has a molecular weight of 262.44 g/mol, XLogP of 5.90, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxydecylbenzene is sourced from PubChem (CID 71423896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).