1-methyl-4-(5-methyloctan-2-yl)benzene

C16H26 — CID 143286559

IUPAC1-methyl-4-(5-methyloctan-2-yl)benzene
SMILESCCCC(C)CCC(C)c1ccc(C)cc1
InChIInChI=1S/C16H26/c1-5-6-13(2)7-10-15(4)16-11-8-14(3)9-12-16/h8-9,11-13,15H,5-7,10H2,1-4H3
InChIKeyKWAVLJKBSJLCFJ-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.31
Rot. Bonds6

About 1-methyl-4-(5-methyloctan-2-yl)benzene

1-methyl-4-(5-methyloctan-2-yl)benzene (PubChem CID 143286559) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-methyl-4-(5-methyloctan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(5-methyloctan-2-yl)benzene
PubChem CID143286559
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-methyl-4-(5-methyloctan-2-yl)benzene
SMILESCCCC(C)CCC(C)c1ccc(C)cc1
InChIInChI=1S/C16H26/c1-5-6-13(2)7-10-15(4)16-11-8-14(3)9-12-16/h8-9,11-13,15H,5-7,10H2,1-4H3
InChIKeyKWAVLJKBSJLCFJ-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(11-ethyl-6-methylpentadecan-2-yl)-4-methylbenzene
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2-(4-methylphenyl)octane-4,5-diol
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CID 177061085
1-(1-bromopentan-2-yl)-4-methylbenzene
CID 79019482
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
2-(diethoxymethyl)-6-(4-methylphenyl)hept-1-en-3-ol
CID 165354603
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
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CID 142349807

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyloctan-2-yl)benzene?
The IUPAC name of 1-methyl-4-(5-methyloctan-2-yl)benzene (CID 143286559) is 1-methyl-4-(5-methyloctan-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(5-methyloctan-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(5-methyloctan-2-yl)benzene is CCCC(C)CCC(C)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(5-methyloctan-2-yl)benzene?
The InChIKey is KWAVLJKBSJLCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-6-13(2)7-10-15(4)16-11-8-14(3)9-12-16/h8-9,11-13,15H,5-7,10H2,1-4H3.
What are the key properties of 1-methyl-4-(5-methyloctan-2-yl)benzene?
1-methyl-4-(5-methyloctan-2-yl)benzene has a molecular weight of 218.38 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyloctan-2-yl)benzene is sourced from PubChem (CID 143286559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).