ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene

C21H40O2 — CID 143806705

IUPACethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
SMILESCC.CC.COc1ccc(C)cc1CCCCCCOC(C)C
InChIInChI=1S/C17H28O2.2C2H6/c1-14(2)19-12-8-6-5-7-9-16-13-15(3)10-11-17(16)18-4;2*1-2/h10-11,13-14H,5-9,12H2,1-4H3;2*1-2H3
InChIKeyHDFMUGRZSUDQGV-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.58
Rot. Bonds9

About ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene

ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene (PubChem CID 143806705) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
PubChem CID143806705
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Nameethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
SMILESCC.CC.COc1ccc(C)cc1CCCCCCOC(C)C
InChIInChI=1S/C17H28O2.2C2H6/c1-14(2)19-12-8-6-5-7-9-16-13-15(3)10-11-17(16)18-4;2*1-2/h10-11,13-14H,5-9,12H2,1-4H3;2*1-2H3
InChIKeyHDFMUGRZSUDQGV-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
CID 64509437
N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine
CID 88636800
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997911
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
2-but-3-ynyl-1-methoxy-4-methylbenzene
CID 82363112
5-(2-methoxy-5-methylphenyl)-N'-methylpentanehydrazide
CID 116846603

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene?
The IUPAC name of ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene (CID 143806705) is ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene.
What is the SMILES notation for ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene?
The canonical SMILES for ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene is CC.CC.COc1ccc(C)cc1CCCCCCOC(C)C.
What is the InChIKey of ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene?
The InChIKey is HDFMUGRZSUDQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2.2C2H6/c1-14(2)19-12-8-6-5-7-9-16-13-15(3)10-11-17(16)18-4;2*1-2/h10-11,13-14H,5-9,12H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene?
ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene has a molecular weight of 324.55 g/mol, XLogP of 6.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene is sourced from PubChem (CID 143806705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).