1-(4-methylpentan-2-yl)-4-nitrosobenzene

C12H17NO — CID 138456067

IUPAC1-(4-methylpentan-2-yl)-4-nitrosobenzene
SMILESCC(C)CC(C)c1ccc(N=O)cc1
InChIInChI=1S/C12H17NO/c1-9(2)8-10(3)11-4-6-12(13-14)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyVFZORHOPBFGMRE-UHFFFAOYSA-N
MW191.27 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-methylpentan-2-yl)-4-nitrosobenzene

1-(4-methylpentan-2-yl)-4-nitrosobenzene (PubChem CID 138456067) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-4-nitrosobenzene.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-4-nitrosobenzene
PubChem CID138456067
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-methylpentan-2-yl)-4-nitrosobenzene
SMILESCC(C)CC(C)c1ccc(N=O)cc1
InChIInChI=1S/C12H17NO/c1-9(2)8-10(3)11-4-6-12(13-14)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyVFZORHOPBFGMRE-UHFFFAOYSA-N
XLogP4.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene
CID 173493897
1-(bromomethyl)-4-(4-methylpentan-2-yl)benzene
CID 89159529
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
2-(4-nitrosophenyl)butanoic acid
CID 175674505
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate
CID 174499307
1-butan-2-yl-4-isocyanatobenzene
CID 4167303
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol
CID 91542260

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)-4-nitrosobenzene?
The IUPAC name of 1-(4-methylpentan-2-yl)-4-nitrosobenzene (CID 138456067) is 1-(4-methylpentan-2-yl)-4-nitrosobenzene.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-4-nitrosobenzene?
The canonical SMILES for 1-(4-methylpentan-2-yl)-4-nitrosobenzene is CC(C)CC(C)c1ccc(N=O)cc1.
What is the InChIKey of 1-(4-methylpentan-2-yl)-4-nitrosobenzene?
The InChIKey is VFZORHOPBFGMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)8-10(3)11-4-6-12(13-14)7-5-11/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-(4-methylpentan-2-yl)-4-nitrosobenzene?
1-(4-methylpentan-2-yl)-4-nitrosobenzene has a molecular weight of 191.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-4-nitrosobenzene is sourced from PubChem (CID 138456067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).