1-butyl-2-methylbenzene;ethane;propane

C16H30 — CID 142102479

IUPAC1-butyl-2-methylbenzene;ethane;propane
SMILESCC.CCC.CCCCc1ccccc1C
InChIInChI=1S/C11H16.C3H8.C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;1-3-2;1-2/h5-7,9H,3-4,8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLCOFAEOJFFEDPS-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.78
Rot. Bonds3

About 1-butyl-2-methylbenzene;ethane;propane

1-butyl-2-methylbenzene;ethane;propane (PubChem CID 142102479) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-butyl-2-methylbenzene;ethane;propane.

Molecular Properties

Compound Name1-butyl-2-methylbenzene;ethane;propane
PubChem CID142102479
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-butyl-2-methylbenzene;ethane;propane
SMILESCC.CCC.CCCCc1ccccc1C
InChIInChI=1S/C11H16.C3H8.C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;1-3-2;1-2/h5-7,9H,3-4,8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLCOFAEOJFFEDPS-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

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sodium;1-heptadecyl-2-methylbenzene;hydride
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1-butyl-2-methylbenzene;pentanal
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CID 159940559
CID 159940559
tetrakis(hexane);tris(1,2-xylene)
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2-butylbenzaldehyde;1-butyl-2-methylbenzene
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1-methyl-2-nonylbenzene;2H-triazole
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N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
1-(2-methylphenyl)heptan-3-amine
CID 105125604
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylbenzene;ethane;propane?
The IUPAC name of 1-butyl-2-methylbenzene;ethane;propane (CID 142102479) is 1-butyl-2-methylbenzene;ethane;propane.
What is the SMILES notation for 1-butyl-2-methylbenzene;ethane;propane?
The canonical SMILES for 1-butyl-2-methylbenzene;ethane;propane is CC.CCC.CCCCc1ccccc1C.
What is the InChIKey of 1-butyl-2-methylbenzene;ethane;propane?
The InChIKey is LCOFAEOJFFEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H8.C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;1-3-2;1-2/h5-7,9H,3-4,8H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-2-methylbenzene;ethane;propane?
1-butyl-2-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-2-methylbenzene;ethane;propane is sourced from PubChem (CID 142102479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).