butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane

C25H42 — CID 159232750

IUPACbutane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
SMILESC.CCC.CCCC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C4H10.C3H8.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-4-2;1-3-2;/h5-12H,1-4H3;3-4H2,1-2H3;3H2,1-2H3;1H4
InChIKeyKTCMDYOGMCSOIV-UHFFFAOYSA-N
MW342.61 g/mol
LogP8.49
Rot. Bonds3

About butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane

butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane (PubChem CID 159232750) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane.

Molecular Properties

Compound Namebutane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
PubChem CID159232750
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Namebutane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
SMILESC.CCC.CCCC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C4H10.C3H8.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-4-2;1-3-2;/h5-12H,1-4H3;3-4H2,1-2H3;3H2,1-2H3;1H4
InChIKeyKTCMDYOGMCSOIV-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
ethane;propane;trimethyl-[[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]-λ4-sulfane
CID 155699473
butane;3,3-diethylpentane;3,3-dimethylpentane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene
CID 163798008
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
1-(2,2-dimethylpent-3-ynyl)-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 170966815

Frequently Asked Questions

What is the IUPAC name of butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane?
The IUPAC name of butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane (CID 159232750) is butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane.
What is the SMILES notation for butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane?
The canonical SMILES for butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane is C.CCC.CCCC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane?
The InChIKey is KTCMDYOGMCSOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C4H10.C3H8.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-4-2;1-3-2;/h5-12H,1-4H3;3-4H2,1-2H3;3H2,1-2H3;1H4.
What are the key properties of butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane?
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane has a molecular weight of 342.61 g/mol, XLogP of 8.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane is sourced from PubChem (CID 159232750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).