[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene

C16H21NO2 — CID 163415997

IUPAC[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene
SMILESC=C1CCCCC1C(COC)(N=O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-13-8-6-7-11-15(13)16(17-18,12-19-2)14-9-4-3-5-10-14/h3-5,9-10,15H,1,6-8,11-12H2,2H3
InChIKeyAELPNYPLGUBHCH-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.04
Rot. Bonds5

About [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene

[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene (PubChem CID 163415997) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene.

Molecular Properties

Compound Name[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene
PubChem CID163415997
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene
SMILESC=C1CCCCC1C(COC)(N=O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-13-8-6-7-11-15(13)16(17-18,12-19-2)14-9-4-3-5-10-14/h3-5,9-10,15H,1,6-8,11-12H2,2H3
InChIKeyAELPNYPLGUBHCH-UHFFFAOYSA-N
XLogP4.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene?
The IUPAC name of [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene (CID 163415997) is [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene.
What is the SMILES notation for [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene?
The canonical SMILES for [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene is C=C1CCCCC1C(COC)(N=O)c1ccccc1.
What is the InChIKey of [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene?
The InChIKey is AELPNYPLGUBHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-8-6-7-11-15(13)16(17-18,12-19-2)14-9-4-3-5-10-14/h3-5,9-10,15H,1,6-8,11-12H2,2H3.
What are the key properties of [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene?
[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene has a molecular weight of 259.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene is sourced from PubChem (CID 163415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).