1-ethenoxypentane;1-ethenyl-4-ethylbenzene

C17H26O — CID 54369446

IUPAC1-ethenoxypentane;1-ethenyl-4-ethylbenzene
SMILESC=COCCCCC.C=Cc1ccc(CC)cc1
InChIInChI=1S/C10H12.C7H14O/c1-3-9-5-7-10(4-2)8-6-9;1-3-5-6-7-8-4-2/h3,5-8H,1,4H2,2H3;4H,2-3,5-7H2,1H3
InChIKeyUSCPNCBYBIZBIB-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.23
Rot. Bonds7

About 1-ethenoxypentane;1-ethenyl-4-ethylbenzene

1-ethenoxypentane;1-ethenyl-4-ethylbenzene (PubChem CID 54369446) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-ethenoxypentane;1-ethenyl-4-ethylbenzene.

Molecular Properties

Compound Name1-ethenoxypentane;1-ethenyl-4-ethylbenzene
PubChem CID54369446
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-ethenoxypentane;1-ethenyl-4-ethylbenzene
SMILESC=COCCCCC.C=Cc1ccc(CC)cc1
InChIInChI=1S/C10H12.C7H14O/c1-3-9-5-7-10(4-2)8-6-9;1-3-5-6-7-8-4-2/h3,5-8H,1,4H2,2H3;4H,2-3,5-7H2,1H3
InChIKeyUSCPNCBYBIZBIB-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenoxytriacontane
CID 14647805
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)
CID 158135421
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-pentoxypentane;styrene
CID 174531543

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxypentane;1-ethenyl-4-ethylbenzene?
The IUPAC name of 1-ethenoxypentane;1-ethenyl-4-ethylbenzene (CID 54369446) is 1-ethenoxypentane;1-ethenyl-4-ethylbenzene.
What is the SMILES notation for 1-ethenoxypentane;1-ethenyl-4-ethylbenzene?
The canonical SMILES for 1-ethenoxypentane;1-ethenyl-4-ethylbenzene is C=COCCCCC.C=Cc1ccc(CC)cc1.
What is the InChIKey of 1-ethenoxypentane;1-ethenyl-4-ethylbenzene?
The InChIKey is USCPNCBYBIZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C7H14O/c1-3-9-5-7-10(4-2)8-6-9;1-3-5-6-7-8-4-2/h3,5-8H,1,4H2,2H3;4H,2-3,5-7H2,1H3.
What are the key properties of 1-ethenoxypentane;1-ethenyl-4-ethylbenzene?
1-ethenoxypentane;1-ethenyl-4-ethylbenzene has a molecular weight of 246.39 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypentane;1-ethenyl-4-ethylbenzene is sourced from PubChem (CID 54369446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).