but-1-ene;2,4-dimethyl-1-propylbenzene;ethane

C17H30 — CID 165130204

IUPACbut-1-ene;2,4-dimethyl-1-propylbenzene;ethane
SMILESC=CCC.CC.CCCc1ccc(C)cc1C
InChIInChI=1S/C11H16.C4H8.C2H6/c1-4-5-11-7-6-9(2)8-10(11)3;1-3-4-2;1-2/h6-8H,4-5H2,1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyRKUWHWDOGYXWET-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.86
Rot. Bonds3

About but-1-ene;2,4-dimethyl-1-propylbenzene;ethane

but-1-ene;2,4-dimethyl-1-propylbenzene;ethane (PubChem CID 165130204) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is but-1-ene;2,4-dimethyl-1-propylbenzene;ethane.

Molecular Properties

Compound Namebut-1-ene;2,4-dimethyl-1-propylbenzene;ethane
PubChem CID165130204
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Namebut-1-ene;2,4-dimethyl-1-propylbenzene;ethane
SMILESC=CCC.CC.CCCc1ccc(C)cc1C
InChIInChI=1S/C11H16.C4H8.C2H6/c1-4-5-11-7-6-9(2)8-10(11)3;1-3-4-2;1-2/h6-8H,4-5H2,1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyRKUWHWDOGYXWET-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3,3-dimethylbut-1-enyl]-4-ethenylbenzene;2,4-dimethyl-1-propylbenzene;ethane;ethene
CID 143048608
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
but-1-ene;ethane;hex-1-ene;1,2,4-trimethylbenzene
CID 144521975
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-[2-(2,4-dimethylphenyl)ethyl]-6-propylpyridine
CID 169160403
1-ethenyl-5,7-dimethyl-2-propylnaphthalene
CID 143776422
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
5-methyl-2-propylbenzaldehyde
CID 23586663
but-1-ene;3-methyl-4-[2-[2-(methylamino)-5-propylphenyl]ethyl]benzenethiol
CID 144933078
1-methyl-4-[4-(4-methylphenyl)phenyl]-2,5-dipropylbenzene
CID 59821643
butane;ethane;1,2,4-trimethylbenzene
CID 143613706

Frequently Asked Questions

What is the IUPAC name of but-1-ene;2,4-dimethyl-1-propylbenzene;ethane?
The IUPAC name of but-1-ene;2,4-dimethyl-1-propylbenzene;ethane (CID 165130204) is but-1-ene;2,4-dimethyl-1-propylbenzene;ethane.
What is the SMILES notation for but-1-ene;2,4-dimethyl-1-propylbenzene;ethane?
The canonical SMILES for but-1-ene;2,4-dimethyl-1-propylbenzene;ethane is C=CCC.CC.CCCc1ccc(C)cc1C.
What is the InChIKey of but-1-ene;2,4-dimethyl-1-propylbenzene;ethane?
The InChIKey is RKUWHWDOGYXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C4H8.C2H6/c1-4-5-11-7-6-9(2)8-10(11)3;1-3-4-2;1-2/h6-8H,4-5H2,1-3H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;2,4-dimethyl-1-propylbenzene;ethane?
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane has a molecular weight of 234.43 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2,4-dimethyl-1-propylbenzene;ethane is sourced from PubChem (CID 165130204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).