butane;ethane

C16H44 — CID 90704397

IUPACbutane;ethane
SMILESCC.CC.CC.CC.CCCC.CCCC
InChIInChI=1S/2C4H10.4C2H6/c2*1-3-4-2;4*1-2/h2*3-4H2,1-2H3;4*1-2H3
InChIKeyGSKJTULTCBKJDT-UHFFFAOYSA-N
MW236.53 g/mol
LogP7.72
Rot. Bonds2

About butane;ethane

butane;ethane (PubChem CID 90704397) has the molecular formula C16H44 and a molecular weight of 236.53 g/mol. Its IUPAC name is butane;ethane.

Molecular Properties

Compound Namebutane;ethane
PubChem CID90704397
Molecular FormulaC16H44
Molecular Weight236.53 g/mol
Exact Mass236.34
IUPAC Namebutane;ethane
SMILESCC.CC.CC.CC.CCCC.CCCC
InChIInChI=1S/2C4H10.4C2H6/c2*1-3-4-2;4*1-2/h2*3-4H2,1-2H3;4*1-2H3
InChIKeyGSKJTULTCBKJDT-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;ethane?
The IUPAC name of butane;ethane (CID 90704397) is butane;ethane.
What is the SMILES notation for butane;ethane?
The canonical SMILES for butane;ethane is CC.CC.CC.CC.CCCC.CCCC.
What is the InChIKey of butane;ethane?
The InChIKey is GSKJTULTCBKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.4C2H6/c2*1-3-4-2;4*1-2/h2*3-4H2,1-2H3;4*1-2H3.
What are the key properties of butane;ethane?
butane;ethane has a molecular weight of 236.53 g/mol, XLogP of 7.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane is sourced from PubChem (CID 90704397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).