4-methyl-2-nitro-1-propan-2-ylcyclohexane

C10H19NO2 — CID 73030525

IUPAC4-methyl-2-nitro-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C([N+](=O)[O-])C1
InChIInChI=1S/C10H19NO2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3
InChIKeyYMSHVZLASIYIKR-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-2-nitro-1-propan-2-ylcyclohexane

4-methyl-2-nitro-1-propan-2-ylcyclohexane (PubChem CID 73030525) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-2-nitro-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-nitro-1-propan-2-ylcyclohexane
PubChem CID73030525
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-2-nitro-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C([N+](=O)[O-])C1
InChIInChI=1S/C10H19NO2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3
InChIKeyYMSHVZLASIYIKR-UHFFFAOYSA-N
XLogP2.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
hexakis[(-)-menthyl]distannane
CID 86177037
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
CID 54349624
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
CID 66630118
CID 66630118
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitro-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-nitro-1-propan-2-ylcyclohexane (CID 73030525) is 4-methyl-2-nitro-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-nitro-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-nitro-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C([N+](=O)[O-])C1.
What is the InChIKey of 4-methyl-2-nitro-1-propan-2-ylcyclohexane?
The InChIKey is YMSHVZLASIYIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-nitro-1-propan-2-ylcyclohexane?
4-methyl-2-nitro-1-propan-2-ylcyclohexane has a molecular weight of 185.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitro-1-propan-2-ylcyclohexane is sourced from PubChem (CID 73030525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).