3-ethyl-3-nitrosohexane

C8H17NO — CID 18330731

IUPAC3-ethyl-3-nitrosohexane
SMILESCCCC(CC)(CC)N=O
InChIInChI=1S/C8H17NO/c1-4-7-8(5-2,6-3)9-10/h4-7H2,1-3H3
InChIKeyWACIGSZSLZODON-UHFFFAOYSA-N
MW143.23 g/mol
LogP3.11
Rot. Bonds5

About 3-ethyl-3-nitrosohexane

3-ethyl-3-nitrosohexane (PubChem CID 18330731) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-ethyl-3-nitrosohexane.

Molecular Properties

Compound Name3-ethyl-3-nitrosohexane
PubChem CID18330731
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-ethyl-3-nitrosohexane
SMILESCCCC(CC)(CC)N=O
InChIInChI=1S/C8H17NO/c1-4-7-8(5-2,6-3)9-10/h4-7H2,1-3H3
InChIKeyWACIGSZSLZODON-UHFFFAOYSA-N
XLogP3.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-propylpentanamide
CID 10352144
silyl 2-ethyl-2-propylpentanoate
CID 173274588
3,3-diethylhex-1-en-2-ylsilane
CID 175192453
3-nitro-3-nitrosohexane
CID 134883989
phosphoroso 2,2-diethylpentanoate
CID 175130857
5-propylnonan-5-ylphosphonic acid
CID 19438491
aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)
CID 173155237
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate
CID 134918854
2-ethyl-2-propylnonanedioic acid
CID 162230582
[1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)hexan-3-yl]phosphonic acid
CID 87156096
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266
2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid
CID 90299737

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-nitrosohexane?
The IUPAC name of 3-ethyl-3-nitrosohexane (CID 18330731) is 3-ethyl-3-nitrosohexane.
What is the SMILES notation for 3-ethyl-3-nitrosohexane?
The canonical SMILES for 3-ethyl-3-nitrosohexane is CCCC(CC)(CC)N=O.
What is the InChIKey of 3-ethyl-3-nitrosohexane?
The InChIKey is WACIGSZSLZODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-8(5-2,6-3)9-10/h4-7H2,1-3H3.
What are the key properties of 3-ethyl-3-nitrosohexane?
3-ethyl-3-nitrosohexane has a molecular weight of 143.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-nitrosohexane is sourced from PubChem (CID 18330731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).