5-pent-4-enoxy-2,3-dihydroinden-1-one

C14H16O2 — CID 104986130

IUPAC5-pent-4-enoxy-2,3-dihydroinden-1-one
SMILESC=CCCCOc1ccc2c(c1)CCC2=O
InChIInChI=1S/C14H16O2/c1-2-3-4-9-16-12-6-7-13-11(10-12)5-8-14(13)15/h2,6-7,10H,1,3-5,8-9H2
InChIKeyFBMIIPDZQVIADA-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.16
Rot. Bonds5

About 5-pent-4-enoxy-2,3-dihydroinden-1-one

5-pent-4-enoxy-2,3-dihydroinden-1-one (PubChem CID 104986130) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-pent-4-enoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-pent-4-enoxy-2,3-dihydroinden-1-one
PubChem CID104986130
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name5-pent-4-enoxy-2,3-dihydroinden-1-one
SMILESC=CCCCOc1ccc2c(c1)CCC2=O
InChIInChI=1S/C14H16O2/c1-2-3-4-9-16-12-6-7-13-11(10-12)5-8-14(13)15/h2,6-7,10H,1,3-5,8-9H2
InChIKeyFBMIIPDZQVIADA-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
CID 107007273
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
CID 102670879
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
1-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethyl]imidazolidin-2-one
CID 107684155
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
CID 67979471
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-enoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-pent-4-enoxy-2,3-dihydroinden-1-one (CID 104986130) is 5-pent-4-enoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-pent-4-enoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-pent-4-enoxy-2,3-dihydroinden-1-one is C=CCCCOc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-pent-4-enoxy-2,3-dihydroinden-1-one?
The InChIKey is FBMIIPDZQVIADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-9-16-12-6-7-13-11(10-12)5-8-14(13)15/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 5-pent-4-enoxy-2,3-dihydroinden-1-one?
5-pent-4-enoxy-2,3-dihydroinden-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-enoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 104986130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).