5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one

C14H18O2 — CID 43793468

IUPAC5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
SMILESCC(=O)CCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O2/c1-11(15)4-3-9-16-14-8-7-12-5-2-6-13(12)10-14/h7-8,10H,2-6,9H2,1H3
InChIKeyYXXQBVCGPNYJEN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds5

About 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one

5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one (PubChem CID 43793468) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
PubChem CID43793468
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
SMILESCC(=O)CCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O2/c1-11(15)4-3-9-16-14-8-7-12-5-2-6-13(12)10-14/h7-8,10H,2-6,9H2,1H3
InChIKeyYXXQBVCGPNYJEN-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one (CID 43793468) is 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one is CC(=O)CCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one?
The InChIKey is YXXQBVCGPNYJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(15)4-3-9-16-14-8-7-12-5-2-6-13(12)10-14/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one?
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one is sourced from PubChem (CID 43793468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).