bicyclo[1.1.0]butane;ethane;2-methylbutane

C13H30 — CID 142057154

IUPACbicyclo[1.1.0]butane;ethane;2-methylbutane
SMILESC1C2CC12.CC.CC.CCC(C)C
InChIInChI=1S/C5H12.C4H6.2C2H6/c1-4-5(2)3;1-3-2-4(1)3;2*1-2/h5H,4H2,1-3H3;3-4H,1-2H2;2*1-2H3
InChIKeyZWXJWWHVCGBXAF-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.13
Rot. Bonds1

About bicyclo[1.1.0]butane;ethane;2-methylbutane

bicyclo[1.1.0]butane;ethane;2-methylbutane (PubChem CID 142057154) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is bicyclo[1.1.0]butane;ethane;2-methylbutane.

Molecular Properties

Compound Namebicyclo[1.1.0]butane;ethane;2-methylbutane
PubChem CID142057154
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Namebicyclo[1.1.0]butane;ethane;2-methylbutane
SMILESC1C2CC12.CC.CC.CCC(C)C
InChIInChI=1S/C5H12.C4H6.2C2H6/c1-4-5(2)3;1-3-2-4(1)3;2*1-2/h5H,4H2,1-3H3;3-4H,1-2H2;2*1-2H3
InChIKeyZWXJWWHVCGBXAF-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[1.1.0]butane;ethane;2-methylbutane?
The IUPAC name of bicyclo[1.1.0]butane;ethane;2-methylbutane (CID 142057154) is bicyclo[1.1.0]butane;ethane;2-methylbutane.
What is the SMILES notation for bicyclo[1.1.0]butane;ethane;2-methylbutane?
The canonical SMILES for bicyclo[1.1.0]butane;ethane;2-methylbutane is C1C2CC12.CC.CC.CCC(C)C.
What is the InChIKey of bicyclo[1.1.0]butane;ethane;2-methylbutane?
The InChIKey is ZWXJWWHVCGBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H6.2C2H6/c1-4-5(2)3;1-3-2-4(1)3;2*1-2/h5H,4H2,1-3H3;3-4H,1-2H2;2*1-2H3.
What are the key properties of bicyclo[1.1.0]butane;ethane;2-methylbutane?
bicyclo[1.1.0]butane;ethane;2-methylbutane has a molecular weight of 186.38 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[1.1.0]butane;ethane;2-methylbutane is sourced from PubChem (CID 142057154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).