ethane;3-ethyl-2,2,3-trimethylhexane;methane

C17H44 — CID 143664746

IUPACethane;3-ethyl-2,2,3-trimethylhexane;methane
SMILESC.C.CC.CC.CCCC(C)(CC)C(C)(C)C
InChIInChI=1S/C11H24.2C2H6.2CH4/c1-7-9-11(6,8-2)10(3,4)5;2*1-2;;/h7-9H2,1-6H3;2*1-2H3;2*1H4
InChIKeyUZJNLYVJXWNEPT-UHFFFAOYSA-N
MW248.54 g/mol
LogP7.57
Rot. Bonds3

About ethane;3-ethyl-2,2,3-trimethylhexane;methane

ethane;3-ethyl-2,2,3-trimethylhexane;methane (PubChem CID 143664746) has the molecular formula C17H44 and a molecular weight of 248.54 g/mol. Its IUPAC name is ethane;3-ethyl-2,2,3-trimethylhexane;methane.

Molecular Properties

Compound Nameethane;3-ethyl-2,2,3-trimethylhexane;methane
PubChem CID143664746
Molecular FormulaC17H44
Molecular Weight248.54 g/mol
Exact Mass248.34
IUPAC Nameethane;3-ethyl-2,2,3-trimethylhexane;methane
SMILESC.C.CC.CC.CCCC(C)(CC)C(C)(C)C
InChIInChI=1S/C11H24.2C2H6.2CH4/c1-7-9-11(6,8-2)10(3,4)5;2*1-2;;/h7-9H2,1-6H3;2*1-2H3;2*1H4
InChIKeyUZJNLYVJXWNEPT-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.54
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;ethane;3-ethyl-2,2,3-trimethylpentane
CID 155745671
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166
bis(2,2-dimethylpentane);methane
CID 159859974
4-ethyl-4,5,5-trimethylnonane
CID 57492041
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
4-ethyl-5-ethyl-4,5-dimethyloctane
CID 91355965
3,3-dimethylhexane
CID 11233
2,2-dimethylpentane;ethane;propane
CID 156751345
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
13-tert-butyl-13-methylpentacosane
CID 91013833
3-(aminomethyl)-3,4-dimethylheptan-4-ol
CID 80560039

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2,2,3-trimethylhexane;methane?
The IUPAC name of ethane;3-ethyl-2,2,3-trimethylhexane;methane (CID 143664746) is ethane;3-ethyl-2,2,3-trimethylhexane;methane.
What is the SMILES notation for ethane;3-ethyl-2,2,3-trimethylhexane;methane?
The canonical SMILES for ethane;3-ethyl-2,2,3-trimethylhexane;methane is C.C.CC.CC.CCCC(C)(CC)C(C)(C)C.
What is the InChIKey of ethane;3-ethyl-2,2,3-trimethylhexane;methane?
The InChIKey is UZJNLYVJXWNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.2C2H6.2CH4/c1-7-9-11(6,8-2)10(3,4)5;2*1-2;;/h7-9H2,1-6H3;2*1-2H3;2*1H4.
What are the key properties of ethane;3-ethyl-2,2,3-trimethylhexane;methane?
ethane;3-ethyl-2,2,3-trimethylhexane;methane has a molecular weight of 248.54 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2,2,3-trimethylhexane;methane is sourced from PubChem (CID 143664746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).