butane;methane;tricyclo[1.1.0.02,4]butane

C15H36 — CID 161341800

IUPACbutane;methane;tricyclo[1.1.0.02,4]butane
SMILESC.C.C.C12C3C1C23.CCCC.CCCC
InChIInChI=1S/C4H4.2C4H10.3CH4/c1-2-3(1)4(1)2;2*1-3-4-2;;;/h1-4H;2*3-4H2,1-2H3;3*1H4
InChIKeyVMTNIBPWFDHZPH-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.01
Rot. Bonds2

About butane;methane;tricyclo[1.1.0.02,4]butane

butane;methane;tricyclo[1.1.0.02,4]butane (PubChem CID 161341800) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is butane;methane;tricyclo[1.1.0.02,4]butane.

Molecular Properties

Compound Namebutane;methane;tricyclo[1.1.0.02,4]butane
PubChem CID161341800
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Namebutane;methane;tricyclo[1.1.0.02,4]butane
SMILESC.C.C.C12C3C1C23.CCCC.CCCC
InChIInChI=1S/C4H4.2C4H10.3CH4/c1-2-3(1)4(1)2;2*1-3-4-2;;;/h1-4H;2*3-4H2,1-2H3;3*1H4
InChIKeyVMTNIBPWFDHZPH-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;methane;tricyclo[1.1.0.02,4]butane?
The IUPAC name of butane;methane;tricyclo[1.1.0.02,4]butane (CID 161341800) is butane;methane;tricyclo[1.1.0.02,4]butane.
What is the SMILES notation for butane;methane;tricyclo[1.1.0.02,4]butane?
The canonical SMILES for butane;methane;tricyclo[1.1.0.02,4]butane is C.C.C.C12C3C1C23.CCCC.CCCC.
What is the InChIKey of butane;methane;tricyclo[1.1.0.02,4]butane?
The InChIKey is VMTNIBPWFDHZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4.2C4H10.3CH4/c1-2-3(1)4(1)2;2*1-3-4-2;;;/h1-4H;2*3-4H2,1-2H3;3*1H4.
What are the key properties of butane;methane;tricyclo[1.1.0.02,4]butane?
butane;methane;tricyclo[1.1.0.02,4]butane has a molecular weight of 216.45 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;tricyclo[1.1.0.02,4]butane is sourced from PubChem (CID 161341800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).