butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane

C17H28 — CID 145163186

IUPACbutane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
SMILESCC.CCCC.Cc1ccc(C2=CCC2)cc1
InChIInChI=1S/C11H12.C4H10.C2H6/c1-9-5-7-11(8-6-9)10-3-2-4-10;1-3-4-2;1-2/h3,5-8H,2,4H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyRPYBGFDHAGAQNT-UHFFFAOYSA-N
MW232.41 g/mol
LogP6.00
Rot. Bonds2

About butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane

butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane (PubChem CID 145163186) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane.

Molecular Properties

Compound Namebutane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
PubChem CID145163186
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Namebutane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
SMILESCC.CCCC.Cc1ccc(C2=CCC2)cc1
InChIInChI=1S/C11H12.C4H10.C2H6/c1-9-5-7-11(8-6-9)10-3-2-4-10;1-3-4-2;1-2/h3,5-8H,2,4H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyRPYBGFDHAGAQNT-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane?
The IUPAC name of butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane (CID 145163186) is butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane.
What is the SMILES notation for butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane?
The canonical SMILES for butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane is CC.CCCC.Cc1ccc(C2=CCC2)cc1.
What is the InChIKey of butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane?
The InChIKey is RPYBGFDHAGAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C4H10.C2H6/c1-9-5-7-11(8-6-9)10-3-2-4-10;1-3-4-2;1-2/h3,5-8H,2,4H2,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane?
butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane has a molecular weight of 232.41 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane is sourced from PubChem (CID 145163186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).