ethane;hydron;bis(2,3,4-trimethylpentane)

C20H49+ — CID 160880864

IUPACethane;hydron;bis(2,3,4-trimethylpentane)
SMILESCC.CC.CC(C)C(C)C(C)C.CC(C)C(C)C(C)C.[H+]
InChIInChI=1S/2C8H18.2C2H6/c2*1-6(2)8(5)7(3)4;2*1-2/h2*6-8H,1-5H3;2*1-2H3/p+1
InChIKeySMZXWBJGUVTPDN-UHFFFAOYSA-O
MW289.61 g/mol
LogP8.03
Rot. Bonds4

About ethane;hydron;bis(2,3,4-trimethylpentane)

ethane;hydron;bis(2,3,4-trimethylpentane) (PubChem CID 160880864) has the molecular formula C20H49+ and a molecular weight of 289.61 g/mol. Its IUPAC name is ethane;hydron;bis(2,3,4-trimethylpentane).

Molecular Properties

Compound Nameethane;hydron;bis(2,3,4-trimethylpentane)
PubChem CID160880864
Molecular FormulaC20H49+
Molecular Weight289.61 g/mol
Exact Mass289.38
IUPAC Nameethane;hydron;bis(2,3,4-trimethylpentane)
SMILESCC.CC.CC(C)C(C)C(C)C.CC(C)C(C)C(C)C.[H+]
InChIInChI=1S/2C8H18.2C2H6/c2*1-6(2)8(5)7(3)4;2*1-2/h2*6-8H,1-5H3;2*1-2H3/p+1
InChIKeySMZXWBJGUVTPDN-UHFFFAOYSA-O
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.61
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
2,3-dimethylbutane;ethane
CID 143330980
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-heptacosamethylnonacosane;methane
CID 160593836
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
(2R,3R)-2-fluoro-3,4-dimethylpentane
CID 163563398
3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
3-fluoro-2,4,5-trimethylhexane
CID 145154755
ethane;tetrakis(2-methylpropane)
CID 160890290
pyridine;2,3,4-trimethylpentane
CID 90280949
2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane
CID 141460639
3-(bromomethyl)-2,2,4,5-tetramethylhexane
CID 165443368
benzene;2,3-dimethylbutane;ethane
CID 159807591

Frequently Asked Questions

What is the IUPAC name of ethane;hydron;bis(2,3,4-trimethylpentane)?
The IUPAC name of ethane;hydron;bis(2,3,4-trimethylpentane) (CID 160880864) is ethane;hydron;bis(2,3,4-trimethylpentane).
What is the SMILES notation for ethane;hydron;bis(2,3,4-trimethylpentane)?
The canonical SMILES for ethane;hydron;bis(2,3,4-trimethylpentane) is CC.CC.CC(C)C(C)C(C)C.CC(C)C(C)C(C)C.[H+].
What is the InChIKey of ethane;hydron;bis(2,3,4-trimethylpentane)?
The InChIKey is SMZXWBJGUVTPDN-UHFFFAOYSA-O. The full InChI is InChI=1S/2C8H18.2C2H6/c2*1-6(2)8(5)7(3)4;2*1-2/h2*6-8H,1-5H3;2*1-2H3/p+1.
What are the key properties of ethane;hydron;bis(2,3,4-trimethylpentane)?
ethane;hydron;bis(2,3,4-trimethylpentane) has a molecular weight of 289.61 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydron;bis(2,3,4-trimethylpentane) is sourced from PubChem (CID 160880864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).