1-butyl-3-methylbenzene;ethane;propane

C16H30 — CID 142068173

IUPAC1-butyl-3-methylbenzene;ethane;propane
SMILESCC.CCC.CCCCc1cccc(C)c1
InChIInChI=1S/C11H16.C3H8.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-3-2;1-2/h5-6,8-9H,3-4,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRXEUKXQVLFLPSI-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.78
Rot. Bonds3

About 1-butyl-3-methylbenzene;ethane;propane

1-butyl-3-methylbenzene;ethane;propane (PubChem CID 142068173) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-butyl-3-methylbenzene;ethane;propane.

Molecular Properties

Compound Name1-butyl-3-methylbenzene;ethane;propane
PubChem CID142068173
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-butyl-3-methylbenzene;ethane;propane
SMILESCC.CCC.CCCCc1cccc(C)c1
InChIInChI=1S/C11H16.C3H8.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-3-2;1-2/h5-6,8-9H,3-4,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRXEUKXQVLFLPSI-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-3-pentylbenzene
CID 143267779
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
ethane;pentane;1,3-xylene
CID 142052962
3-(3-methylphenyl)propan-1-amine
CID 12666388
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
CID 174915700
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
ethane;propane;1,3-xylene
CID 144528046
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
1,3-di(tetradecyl)benzene
CID 91053224
N-[4-[3-[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]-5-[4-(N-(3-butylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]-N-(3-butylphenyl)-3-methylaniline
CID 20688277

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylbenzene;ethane;propane?
The IUPAC name of 1-butyl-3-methylbenzene;ethane;propane (CID 142068173) is 1-butyl-3-methylbenzene;ethane;propane.
What is the SMILES notation for 1-butyl-3-methylbenzene;ethane;propane?
The canonical SMILES for 1-butyl-3-methylbenzene;ethane;propane is CC.CCC.CCCCc1cccc(C)c1.
What is the InChIKey of 1-butyl-3-methylbenzene;ethane;propane?
The InChIKey is RXEUKXQVLFLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H8.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-3-2;1-2/h5-6,8-9H,3-4,7H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-3-methylbenzene;ethane;propane?
1-butyl-3-methylbenzene;ethane;propane has a molecular weight of 222.42 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylbenzene;ethane;propane is sourced from PubChem (CID 142068173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).