2-(methoxymethyl)-4-methyloctanenitrile

C11H21NO — CID 170183796

IUPAC2-(methoxymethyl)-4-methyloctanenitrile
SMILESCCCCC(C)CC(C#N)COC
InChIInChI=1S/C11H21NO/c1-4-5-6-10(2)7-11(8-12)9-13-3/h10-11H,4-7,9H2,1-3H3
InChIKeyQSMKXNYJWKXTRX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.99
Rot. Bonds7

About 2-(methoxymethyl)-4-methyloctanenitrile

2-(methoxymethyl)-4-methyloctanenitrile (PubChem CID 170183796) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyloctanenitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyloctanenitrile
PubChem CID170183796
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(methoxymethyl)-4-methyloctanenitrile
SMILESCCCCC(C)CC(C#N)COC
InChIInChI=1S/C11H21NO/c1-4-5-6-10(2)7-11(8-12)9-13-3/h10-11H,4-7,9H2,1-3H3
InChIKeyQSMKXNYJWKXTRX-UHFFFAOYSA-N
XLogP2.99
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-methyloctan-4-amine
CID 105125248
5,7,10-trimethyltetradecane
CID 91033593
1-methoxy-2-methyldecane
CID 13444249
2-(chloromethyl)hexanenitrile
CID 63215232
2-methoxyhexanenitrile
CID 13225791
2-octyldodecanenitrile
CID 87721815
2-octadecylicosanenitrile
CID 89491101
1-methoxy-2,12-dimethyldocosane
CID 91752253
2-butylheptanedinitrile
CID 175152726
2,4-dimethyloctane;ethene
CID 156719555
5,15,17-trimethylpentatriacontane
CID 172565406
3,4,5,7-tetramethylundecane
CID 123179058

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyloctanenitrile?
The IUPAC name of 2-(methoxymethyl)-4-methyloctanenitrile (CID 170183796) is 2-(methoxymethyl)-4-methyloctanenitrile.
What is the SMILES notation for 2-(methoxymethyl)-4-methyloctanenitrile?
The canonical SMILES for 2-(methoxymethyl)-4-methyloctanenitrile is CCCCC(C)CC(C#N)COC.
What is the InChIKey of 2-(methoxymethyl)-4-methyloctanenitrile?
The InChIKey is QSMKXNYJWKXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-10(2)7-11(8-12)9-13-3/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4-methyloctanenitrile?
2-(methoxymethyl)-4-methyloctanenitrile has a molecular weight of 183.29 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyloctanenitrile is sourced from PubChem (CID 170183796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).