(4-methyl-2-nitrooxycyclopentyl) nitrate

C6H10N2O6 — CID 143811821

IUPAC(4-methyl-2-nitrooxycyclopentyl) nitrate
SMILESCC1CC(O[N+](=O)[O-])C(O[N+](=O)[O-])C1
InChIInChI=1S/C6H10N2O6/c1-4-2-5(13-7(9)10)6(3-4)14-8(11)12/h4-6H,2-3H2,1H3
InChIKeyFYUVCPDWHKQNDE-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.57
Rot. Bonds4

About (4-methyl-2-nitrooxycyclopentyl) nitrate

(4-methyl-2-nitrooxycyclopentyl) nitrate (PubChem CID 143811821) has the molecular formula C6H10N2O6 and a molecular weight of 206.15 g/mol. Its IUPAC name is (4-methyl-2-nitrooxycyclopentyl) nitrate.

Molecular Properties

Compound Name(4-methyl-2-nitrooxycyclopentyl) nitrate
PubChem CID143811821
Molecular FormulaC6H10N2O6
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name(4-methyl-2-nitrooxycyclopentyl) nitrate
SMILESCC1CC(O[N+](=O)[O-])C(O[N+](=O)[O-])C1
InChIInChI=1S/C6H10N2O6/c1-4-2-5(13-7(9)10)6(3-4)14-8(11)12/h4-6H,2-3H2,1H3
InChIKeyFYUVCPDWHKQNDE-UHFFFAOYSA-N
XLogP0.57
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(3-methylcyclobutyl) nitrate
CID 166524140
[(1R,2R)-2-nitrooxy-4-propan-2-ylcyclopentyl] nitrate
CID 88572064
[(1S,2S,4S,5S)-2,4-dihydroxy-5-nitrooxycyclohexyl] nitrate
CID 46888472
(1R,3S,4R)-3-methoxy-4-nitrooxycyclopentane-1-carboxylic acid
CID 46220104
(2-nitrooxycyclopentyl) nitrate
CID 90699417
[(1R,2R,4S)-4-carbamoyl-2-methoxycyclopentyl] nitrate
CID 67399133
(3,4-dimethylcyclohexyl) nitrate
CID 139910390
(1S,3R,4R)-3-ethoxy-4-nitrooxycyclopentane-1-carboxylic acid
CID 67396492
(4-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl) nitrate
CID 70432625
2-bicyclo[2.2.1]heptanyl nitrate
CID 12594107
[(6aR)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 16757692
[(1R,2S)-2-nitrooxy-4-(4-propan-2-ylpiperidine-1-carbonyl)cyclopentyl] nitrate
CID 59178161

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-nitrooxycyclopentyl) nitrate?
The IUPAC name of (4-methyl-2-nitrooxycyclopentyl) nitrate (CID 143811821) is (4-methyl-2-nitrooxycyclopentyl) nitrate.
What is the SMILES notation for (4-methyl-2-nitrooxycyclopentyl) nitrate?
The canonical SMILES for (4-methyl-2-nitrooxycyclopentyl) nitrate is CC1CC(O[N+](=O)[O-])C(O[N+](=O)[O-])C1.
What is the InChIKey of (4-methyl-2-nitrooxycyclopentyl) nitrate?
The InChIKey is FYUVCPDWHKQNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6/c1-4-2-5(13-7(9)10)6(3-4)14-8(11)12/h4-6H,2-3H2,1H3.
What are the key properties of (4-methyl-2-nitrooxycyclopentyl) nitrate?
(4-methyl-2-nitrooxycyclopentyl) nitrate has a molecular weight of 206.15 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-nitrooxycyclopentyl) nitrate is sourced from PubChem (CID 143811821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).