1-(3-methylnonoxy)-2-(nitrosomethyl)benzene

C17H27NO2 — CID 91105555

IUPAC1-(3-methylnonoxy)-2-(nitrosomethyl)benzene
SMILESCCCCCCC(C)CCOc1ccccc1CN=O
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-9-15(2)12-13-20-17-11-8-7-10-16(17)14-18-19/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3
InChIKeyRKVWUDSPODDVKM-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.33
Rot. Bonds11

About 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene

1-(3-methylnonoxy)-2-(nitrosomethyl)benzene (PubChem CID 91105555) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1-(3-methylnonoxy)-2-(nitrosomethyl)benzene
PubChem CID91105555
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3-methylnonoxy)-2-(nitrosomethyl)benzene
SMILESCCCCCCC(C)CCOc1ccccc1CN=O
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-9-15(2)12-13-20-17-11-8-7-10-16(17)14-18-19/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3
InChIKeyRKVWUDSPODDVKM-UHFFFAOYSA-N
XLogP5.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-heptoxybenzene
CID 22723794
1-heptan-3-yloxy-2-(nitrosomethyl)benzene
CID 54200294
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
1-[2-(nitrosomethyl)phenyl]octan-2-ol
CID 54314605
1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
1-decyl-2-(5-methoxyhexoxy)benzene
CID 57268252
(2-butoxyphenyl)methyliminotitanium
CID 87197338
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
3-methylnonadecyl benzenesulfonate
CID 54191758
1-(2-hexyldecoxy)-2-propylbenzene
CID 70821516

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene?
The IUPAC name of 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene (CID 91105555) is 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene.
What is the SMILES notation for 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene?
The canonical SMILES for 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene is CCCCCCC(C)CCOc1ccccc1CN=O.
What is the InChIKey of 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene?
The InChIKey is RKVWUDSPODDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-9-15(2)12-13-20-17-11-8-7-10-16(17)14-18-19/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3.
What are the key properties of 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene?
1-(3-methylnonoxy)-2-(nitrosomethyl)benzene has a molecular weight of 277.41 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylnonoxy)-2-(nitrosomethyl)benzene is sourced from PubChem (CID 91105555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).