4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane

C13H27NO — CID 146258320

IUPAC4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane
SMILESCCCCC(CC)C(CN=O)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-8-9-11(7-2)12(10-14-15)13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyKZJXOGUOAFXNAK-UHFFFAOYSA-N
MW213.36 g/mol
LogP4.63
Rot. Bonds7

About 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane

4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane (PubChem CID 146258320) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane
PubChem CID146258320
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane
SMILESCCCCC(CC)C(CN=O)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-8-9-11(7-2)12(10-14-15)13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyKZJXOGUOAFXNAK-UHFFFAOYSA-N
XLogP4.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-ethyl-3-methylnonane-3,4-diol
CID 87743678
1,3-dinitrosoheptan-2-ol
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3-(dibromomethyl)heptane
CID 87164380
3-ethyl-2,2-dimethylheptane
CID 20686447
5,6-diethyldodecane
CID 90761715
(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine
CID 163966998
5-ethyl-3,3,4-trimethylnonane
CID 57492068
5-butyl-6-ethyldodecane
CID 529932
5,7-diethylundecan-6-ol
CID 89253066

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane?
The IUPAC name of 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane (CID 146258320) is 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane?
The canonical SMILES for 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane is CCCCC(CC)C(CN=O)C(C)(C)C.
What is the InChIKey of 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane?
The InChIKey is KZJXOGUOAFXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-9-11(7-2)12(10-14-15)13(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane?
4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane has a molecular weight of 213.36 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane is sourced from PubChem (CID 146258320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).