benzyl nitrite;cyclohexane

C13H19NO2 — CID 175094734

IUPACbenzyl nitrite;cyclohexane
SMILESC1CCCCC1.O=NOCc1ccccc1
InChIInChI=1S/C7H7NO2.C6H12/c9-8-10-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H,6H2;1-6H2
InChIKeyOPPZKJBWOCHAPL-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.23
Rot. Bonds3

About benzyl nitrite;cyclohexane

benzyl nitrite;cyclohexane (PubChem CID 175094734) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzyl nitrite;cyclohexane.

Molecular Properties

Compound Namebenzyl nitrite;cyclohexane
PubChem CID175094734
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzyl nitrite;cyclohexane
SMILESC1CCCCC1.O=NOCc1ccccc1
InChIInChI=1S/C7H7NO2.C6H12/c9-8-10-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H,6H2;1-6H2
InChIKeyOPPZKJBWOCHAPL-UHFFFAOYSA-N
XLogP4.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methyl nitrite
CID 12749829
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
N-phenylmethoxymethanimine
CID 561610
2-phenylmethoxyiminocyclohexan-1-one
CID 123257370
(2Z)-2-phenylmethoxyiminocyclohexan-1-one
CID 88531753
(4-propylphenyl)methyl nitrite
CID 154112943
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
2-phenylmethoxyiminoacetaldehyde
CID 56611193
cyclohexylsulfanyl(phenylmethoxy)diazene
CID 175112079
(2-ethylphenyl)methyl nitrite
CID 154123922
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
tribenzyl phosphite
CID 11810300

Frequently Asked Questions

What is the IUPAC name of benzyl nitrite;cyclohexane?
The IUPAC name of benzyl nitrite;cyclohexane (CID 175094734) is benzyl nitrite;cyclohexane.
What is the SMILES notation for benzyl nitrite;cyclohexane?
The canonical SMILES for benzyl nitrite;cyclohexane is C1CCCCC1.O=NOCc1ccccc1.
What is the InChIKey of benzyl nitrite;cyclohexane?
The InChIKey is OPPZKJBWOCHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C6H12/c9-8-10-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H,6H2;1-6H2.
What are the key properties of benzyl nitrite;cyclohexane?
benzyl nitrite;cyclohexane has a molecular weight of 221.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl nitrite;cyclohexane is sourced from PubChem (CID 175094734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).