1-(6,6-dimethyloctyl)-4-methoxybenzene

C17H28O — CID 54371242

IUPAC1-(6,6-dimethyloctyl)-4-methoxybenzene
SMILESCCC(C)(C)CCCCCc1ccc(OC)cc1
InChIInChI=1S/C17H28O/c1-5-17(2,3)14-8-6-7-9-15-10-12-16(18-4)13-11-15/h10-13H,5-9,14H2,1-4H3
InChIKeyGCNJGAPROCHRAY-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.23
Rot. Bonds8

About 1-(6,6-dimethyloctyl)-4-methoxybenzene

1-(6,6-dimethyloctyl)-4-methoxybenzene (PubChem CID 54371242) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(6,6-dimethyloctyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(6,6-dimethyloctyl)-4-methoxybenzene
PubChem CID54371242
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-(6,6-dimethyloctyl)-4-methoxybenzene
SMILESCCC(C)(C)CCCCCc1ccc(OC)cc1
InChIInChI=1S/C17H28O/c1-5-17(2,3)14-8-6-7-9-15-10-12-16(18-4)13-11-15/h10-13H,5-9,14H2,1-4H3
InChIKeyGCNJGAPROCHRAY-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
[11-(4-methoxyphenyl)-2-methylundecan-2-yl]-[[11-(4-methoxyphenyl)-2-methylundecan-2-yl]-diphenylsilyl]oxy-diphenylsilane
CID 57108762
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
3,3-dimethylhexane;1-heptyl-4-methylbenzene
CID 143180238
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyloctyl)-4-methoxybenzene?
The IUPAC name of 1-(6,6-dimethyloctyl)-4-methoxybenzene (CID 54371242) is 1-(6,6-dimethyloctyl)-4-methoxybenzene.
What is the SMILES notation for 1-(6,6-dimethyloctyl)-4-methoxybenzene?
The canonical SMILES for 1-(6,6-dimethyloctyl)-4-methoxybenzene is CCC(C)(C)CCCCCc1ccc(OC)cc1.
What is the InChIKey of 1-(6,6-dimethyloctyl)-4-methoxybenzene?
The InChIKey is GCNJGAPROCHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-5-17(2,3)14-8-6-7-9-15-10-12-16(18-4)13-11-15/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 1-(6,6-dimethyloctyl)-4-methoxybenzene?
1-(6,6-dimethyloctyl)-4-methoxybenzene has a molecular weight of 248.41 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyloctyl)-4-methoxybenzene is sourced from PubChem (CID 54371242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).