ethane;methane

C39H118 — CID 159950620

IUPACethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/19C2H6.CH4/c19*1-2;/h19*1-2H3;1H4
InChIKeyOCBHSWRCEUYPGM-UHFFFAOYSA-N
MW587.37 g/mol
LogP20.13
Rot. Bonds

About ethane;methane

ethane;methane (PubChem CID 159950620) has the molecular formula C39H118 and a molecular weight of 587.37 g/mol. Its IUPAC name is ethane;methane.

Molecular Properties

Compound Nameethane;methane
PubChem CID159950620
Molecular FormulaC39H118
Molecular Weight587.37 g/mol
Exact Mass586.92
IUPAC Nameethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/19C2H6.CH4/c19*1-2;/h19*1-2H3;1H4
InChIKeyOCBHSWRCEUYPGM-UHFFFAOYSA-N
XLogP20.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.37
LogP ≤ 520.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Diethyl-lambda~2~-germane--triethylgermyl (1/2)
CID 6330383
Decaethyltetrastannane
CID 6327932
Dibutyl-lambda~2~-stannane--tributylstannyl (1/2)
CID 13494282
Octa ethyl ZINC
CID 129761069
Dodecabutylpentastannane
CID 13494286
Octaethyl cobalt
CID 170838312
CID 21677299
CID 21677299
CID 50931262
CID 50931262
CID 20275221
CID 20275221
Ethane;methane
CID 21187111
Butane;ethane
CID 90704397
CID 90710443
CID 90710443

Frequently Asked Questions

What is the IUPAC name of ethane;methane?
The IUPAC name of ethane;methane (CID 159950620) is ethane;methane.
What is the SMILES notation for ethane;methane?
The canonical SMILES for ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;methane?
The InChIKey is OCBHSWRCEUYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/19C2H6.CH4/c19*1-2;/h19*1-2H3;1H4.
What are the key properties of ethane;methane?
ethane;methane has a molecular weight of 587.37 g/mol, XLogP of 20.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane is sourced from PubChem (CID 159950620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).