butane;ethane;3-ethyl-2,2,3-trimethylpentane

C16H38 — CID 155745671

IUPACbutane;ethane;3-ethyl-2,2,3-trimethylpentane
SMILESCC.CCC(C)(CC)C(C)(C)C.CCCC
InChIInChI=1S/C10H22.C4H10.C2H6/c1-7-10(6,8-2)9(3,4)5;1-3-4-2;1-2/h7-8H2,1-6H3;3-4H2,1-2H3;1-2H3
InChIKeyFEXKBTKZJIHDCP-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.69
Rot. Bonds3

About butane;ethane;3-ethyl-2,2,3-trimethylpentane

butane;ethane;3-ethyl-2,2,3-trimethylpentane (PubChem CID 155745671) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is butane;ethane;3-ethyl-2,2,3-trimethylpentane.

Molecular Properties

Compound Namebutane;ethane;3-ethyl-2,2,3-trimethylpentane
PubChem CID155745671
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Namebutane;ethane;3-ethyl-2,2,3-trimethylpentane
SMILESCC.CCC(C)(CC)C(C)(C)C.CCCC
InChIInChI=1S/C10H22.C4H10.C2H6/c1-7-10(6,8-2)9(3,4)5;1-3-4-2;1-2/h7-8H2,1-6H3;3-4H2,1-2H3;1-2H3
InChIKeyFEXKBTKZJIHDCP-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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butane;ethane;methane
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butane;chloromethane
CID 23360987
magnesium;butane;dihydroxide
CID 174830996
CID 169430064
CID 169430064
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
butane;propane-2,2-diol
CID 142587058
ethane;3-ethyl-3-methylpentane
CID 158904304
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CID 91013833

Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-ethyl-2,2,3-trimethylpentane?
The IUPAC name of butane;ethane;3-ethyl-2,2,3-trimethylpentane (CID 155745671) is butane;ethane;3-ethyl-2,2,3-trimethylpentane.
What is the SMILES notation for butane;ethane;3-ethyl-2,2,3-trimethylpentane?
The canonical SMILES for butane;ethane;3-ethyl-2,2,3-trimethylpentane is CC.CCC(C)(CC)C(C)(C)C.CCCC.
What is the InChIKey of butane;ethane;3-ethyl-2,2,3-trimethylpentane?
The InChIKey is FEXKBTKZJIHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C4H10.C2H6/c1-7-10(6,8-2)9(3,4)5;1-3-4-2;1-2/h7-8H2,1-6H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;3-ethyl-2,2,3-trimethylpentane?
butane;ethane;3-ethyl-2,2,3-trimethylpentane has a molecular weight of 230.48 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-ethyl-2,2,3-trimethylpentane is sourced from PubChem (CID 155745671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).