2-cyclohexylethyl nitrite

C8H15NO2 — CID 125485427

IUPAC2-cyclohexylethyl nitrite
SMILESO=NOCCC1CCCCC1
InChIInChI=1S/C8H15NO2/c10-9-11-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyFZUSEGSNNVFORQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.65
Rot. Bonds4

About 2-cyclohexylethyl nitrite

2-cyclohexylethyl nitrite (PubChem CID 125485427) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-cyclohexylethyl nitrite.

Molecular Properties

Compound Name2-cyclohexylethyl nitrite
PubChem CID125485427
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-cyclohexylethyl nitrite
SMILESO=NOCCC1CCCCC1
InChIInChI=1S/C8H15NO2/c10-9-11-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyFZUSEGSNNVFORQ-UHFFFAOYSA-N
XLogP2.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-nitrosoethylcyclooctane
CID 129141307
2-nitrosoethylcyclotridecane
CID 138619052
2-cyclohexylethyl carbonochloridate
CID 19994353
2-cyclohexylethyl nitrate
CID 57206910
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
2-fluoroethylcyclodecane
CID 70177675
4-cyclohexylbutyl formate
CID 87468651
2-cyclopentylethyl prop-2-ynoate
CID 154203049
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-propan-2-yloxyethylcycloheptane
CID 123201160
4-cyclohexylbutyl formate;methane
CID 143866178

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl nitrite?
The IUPAC name of 2-cyclohexylethyl nitrite (CID 125485427) is 2-cyclohexylethyl nitrite.
What is the SMILES notation for 2-cyclohexylethyl nitrite?
The canonical SMILES for 2-cyclohexylethyl nitrite is O=NOCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl nitrite?
The InChIKey is FZUSEGSNNVFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-9-11-7-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 2-cyclohexylethyl nitrite?
2-cyclohexylethyl nitrite has a molecular weight of 157.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl nitrite is sourced from PubChem (CID 125485427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).