5-pentoxy-2,3-dihydroinden-1-one

C14H18O2 — CID 104986088

IUPAC5-pentoxy-2,3-dihydroinden-1-one
SMILESCCCCCOc1ccc2c(c1)CCC2=O
InChIInChI=1S/C14H18O2/c1-2-3-4-9-16-12-6-7-13-11(10-12)5-8-14(13)15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyPZUYASGLZQXOGG-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.38
Rot. Bonds5

About 5-pentoxy-2,3-dihydroinden-1-one

5-pentoxy-2,3-dihydroinden-1-one (PubChem CID 104986088) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-pentoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-pentoxy-2,3-dihydroinden-1-one
PubChem CID104986088
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name5-pentoxy-2,3-dihydroinden-1-one
SMILESCCCCCOc1ccc2c(c1)CCC2=O
InChIInChI=1S/C14H18O2/c1-2-3-4-9-16-12-6-7-13-11(10-12)5-8-14(13)15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyPZUYASGLZQXOGG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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

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Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-pentoxy-2,3-dihydroinden-1-one (CID 104986088) is 5-pentoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-pentoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-pentoxy-2,3-dihydroinden-1-one is CCCCCOc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-pentoxy-2,3-dihydroinden-1-one?
The InChIKey is PZUYASGLZQXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-4-9-16-12-6-7-13-11(10-12)5-8-14(13)15/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 5-pentoxy-2,3-dihydroinden-1-one?
5-pentoxy-2,3-dihydroinden-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 104986088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).