2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate

C15H21NO3 — CID 10754035

IUPAC2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate
SMILESCc1cc2c(c(C)c1CCO[N+](=O)[O-])CC(C)(C)C2
InChIInChI=1S/C15H21NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3
InChIKeyUJHFESNVIHZCMA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.18
Rot. Bonds4

About 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate

2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate (PubChem CID 10754035) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate.

Molecular Properties

Compound Name2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate
PubChem CID10754035
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate
SMILESCc1cc2c(c(C)c1CCO[N+](=O)[O-])CC(C)(C)C2
InChIInChI=1S/C15H21NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3
InChIKeyUJHFESNVIHZCMA-UHFFFAOYSA-N
XLogP3.18
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dimethyl-2,3-dihydro-1H-inden-2-yl)methanol
CID 11367306
1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
CID 102580
2-(2,2,4,6-Tetramethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-ol
CID 13857689
Alcyopterosin G
CID 10492931
Alcyopterosin H
CID 10516792
Russujaponol F
CID 101416477
Hydroxy-[2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethoxy]-oxoazanium
CID 102009878
Hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium
CID 102009874
hydroxy-[(2S)-2-hydroxy-2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]-oxoazanium
CID 102009877
hydroxy-[2-[(1R)-1-hydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl]ethoxy]-oxoazanium
CID 102009879
(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol
CID 11242054
(2,4,6-Trimethyl-1,3-dihydroinden-2-yl)methanol
CID 18350562

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate?
The IUPAC name of 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate (CID 10754035) is 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate.
What is the SMILES notation for 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate?
The canonical SMILES for 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate is Cc1cc2c(c(C)c1CCO[N+](=O)[O-])CC(C)(C)C2.
What is the InChIKey of 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate?
The InChIKey is UJHFESNVIHZCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate?
2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate has a molecular weight of 263.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate is sourced from PubChem (CID 10754035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).