1H-inden-1-yl hexanoate

C15H18O2 — CID 19688742

IUPAC1H-inden-1-yl hexanoate
SMILESCCCCCC(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C15H18O2/c1-2-3-4-9-15(16)17-14-11-10-12-7-5-6-8-13(12)14/h5-8,10-11,14H,2-4,9H2,1H3
InChIKeyJINJGKBJESCJTM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.88
Rot. Bonds5

About 1H-inden-1-yl hexanoate

1H-inden-1-yl hexanoate (PubChem CID 19688742) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1H-inden-1-yl hexanoate.

Molecular Properties

Compound Name1H-inden-1-yl hexanoate
PubChem CID19688742
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1H-inden-1-yl hexanoate
SMILESCCCCCC(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C15H18O2/c1-2-3-4-9-15(16)17-14-11-10-12-7-5-6-8-13(12)14/h5-8,10-11,14H,2-4,9H2,1H3
InChIKeyJINJGKBJESCJTM-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.88
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

(4-ethyl-1H-phenalen-1-yl) hexanoate
CID 174761488
(4-butyl-1H-phenalen-1-yl) hexanoate
CID 174762033
1H-phenalen-1-yl 5,5-dimethylhexanoate
CID 174761552
hexyl 3-(1H-inden-1-yl)propanoate
CID 132546238
(4-decyl-1H-phenalen-1-yl) pentanoate
CID 175291054
(4-hexyl-1H-phenalen-1-yl) pentanoate
CID 174761558
7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl octadecanoate
CID 69052071
1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
CID 123870032
1H-inden-1-yl 2,2,2-trichloroacetate
CID 134849846
[4-(2-methylpropoxy)-1H-phenalen-1-yl] decanoate
CID 174761675
(3-oxo-1H-2-benzofuran-1-yl) heptanoate
CID 10753938
[4-[(2-methylpropan-2-yl)oxy]-1H-phenalen-1-yl] pentanoate
CID 175378011

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl hexanoate?
The IUPAC name of 1H-inden-1-yl hexanoate (CID 19688742) is 1H-inden-1-yl hexanoate.
What is the SMILES notation for 1H-inden-1-yl hexanoate?
The canonical SMILES for 1H-inden-1-yl hexanoate is CCCCCC(=O)OC1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl hexanoate?
The InChIKey is JINJGKBJESCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-9-15(16)17-14-11-10-12-7-5-6-8-13(12)14/h5-8,10-11,14H,2-4,9H2,1H3.
What are the key properties of 1H-inden-1-yl hexanoate?
1H-inden-1-yl hexanoate has a molecular weight of 230.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl hexanoate is sourced from PubChem (CID 19688742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).