1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene

C14H19NO2 — CID 177187626

IUPAC1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene
SMILESC=C(CCCc1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C14H19NO2/c1-11(2)12(3)5-4-6-13-7-9-14(10-8-13)15(16)17/h7-11H,3-6H2,1-2H3
InChIKeyIGTTWPZHNKRSHP-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.13
Rot. Bonds6

About 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene

1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene (PubChem CID 177187626) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene
PubChem CID177187626
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene
SMILESC=C(CCCc1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C14H19NO2/c1-11(2)12(3)5-4-6-13-7-9-14(10-8-13)15(16)17/h7-11H,3-6H2,1-2H3
InChIKeyIGTTWPZHNKRSHP-UHFFFAOYSA-N
XLogP4.13
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(4-nitrophenyl)hexan-3-one
CID 43520086
2-methylidene-4-(4-nitrophenyl)butanal
CID 173168276
2-methyl-N-[3-(4-nitrophenyl)propyl]propan-1-amine
CID 62549184
3-(4-nitrophenyl)propanoate
CID 6923582
5-(4-nitrophenyl)pentanenitrile
CID 13350834
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
(4-nitrophenyl) acetate;4-(4-nitrophenyl)butanoic acid;2-(4-nitrophenyl)propanoic acid
CID 174478547
(7S)-7-hydroxy-8-(4-nitrophenyl)-1-phenyloctan-4-one
CID 149061818
N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
ethane;1-nitro-4-propylbenzene
CID 123575523

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene?
The IUPAC name of 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene (CID 177187626) is 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene.
What is the SMILES notation for 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene?
The canonical SMILES for 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene is C=C(CCCc1ccc([N+](=O)[O-])cc1)C(C)C.
What is the InChIKey of 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene?
The InChIKey is IGTTWPZHNKRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(2)12(3)5-4-6-13-7-9-14(10-8-13)15(16)17/h7-11H,3-6H2,1-2H3.
What are the key properties of 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene?
1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene has a molecular weight of 233.31 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene is sourced from PubChem (CID 177187626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).