5-ethoxypent-1-enylbenzene

C13H18O — CID 54285670

IUPAC5-ethoxypent-1-enylbenzene
SMILESCCOCCCC=Cc1ccccc1
InChIInChI=1S/C13H18O/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3
InChIKeyAOODEXWXRMAPGC-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.52
Rot. Bonds6

About 5-ethoxypent-1-enylbenzene

5-ethoxypent-1-enylbenzene (PubChem CID 54285670) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-ethoxypent-1-enylbenzene.

Molecular Properties

Compound Name5-ethoxypent-1-enylbenzene
PubChem CID54285670
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name5-ethoxypent-1-enylbenzene
SMILESCCOCCCC=Cc1ccccc1
InChIInChI=1S/C13H18O/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3
InChIKeyAOODEXWXRMAPGC-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.52
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

5-phenoxypent-1-enylbenzene
CID 173201484
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
hex-1-enylbenzene;prop-1-ene
CID 157442084
6-phenylhex-5-enoxysilane
CID 123359434
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
ethyl (E)-8-phenyloct-7-enoate
CID 139263664

Frequently Asked Questions

What is the IUPAC name of 5-ethoxypent-1-enylbenzene?
The IUPAC name of 5-ethoxypent-1-enylbenzene (CID 54285670) is 5-ethoxypent-1-enylbenzene.
What is the SMILES notation for 5-ethoxypent-1-enylbenzene?
The canonical SMILES for 5-ethoxypent-1-enylbenzene is CCOCCCC=Cc1ccccc1.
What is the InChIKey of 5-ethoxypent-1-enylbenzene?
The InChIKey is AOODEXWXRMAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3.
What are the key properties of 5-ethoxypent-1-enylbenzene?
5-ethoxypent-1-enylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypent-1-enylbenzene is sourced from PubChem (CID 54285670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).