ethane;hexane;2,3,3-trimethylpentane

C20H50 — CID 143714855

IUPACethane;hexane;2,3,3-trimethylpentane
SMILESCC.CC.CC.CCC(C)(C)C(C)C.CCCCCC
InChIInChI=1S/C8H18.C6H14.3C2H6/c1-6-8(4,5)7(2)3;1-3-5-6-4-2;3*1-2/h7H,6H2,1-5H3;3-6H2,1-2H3;3*1-2H3
InChIKeySUPUKBRGKBIUEW-UHFFFAOYSA-N
MW290.62 g/mol
LogP8.74
Rot. Bonds5

About ethane;hexane;2,3,3-trimethylpentane

ethane;hexane;2,3,3-trimethylpentane (PubChem CID 143714855) has the molecular formula C20H50 and a molecular weight of 290.62 g/mol. Its IUPAC name is ethane;hexane;2,3,3-trimethylpentane.

Molecular Properties

Compound Nameethane;hexane;2,3,3-trimethylpentane
PubChem CID143714855
Molecular FormulaC20H50
Molecular Weight290.62 g/mol
Exact Mass290.39
IUPAC Nameethane;hexane;2,3,3-trimethylpentane
SMILESCC.CC.CC.CCC(C)(C)C(C)C.CCCCCC
InChIInChI=1S/C8H18.C6H14.3C2H6/c1-6-8(4,5)7(2)3;1-3-5-6-4-2;3*1-2/h7H,6H2,1-5H3;3-6H2,1-2H3;3*1-2H3
InChIKeySUPUKBRGKBIUEW-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.62
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2,2-dimethylbutane;propane;2,3,3-trimethylpentane
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2,3,3-trimethyloctadecane
CID 90966938
ethane;hexane;2-methylpropane
CID 143834457
3,3,4,5-tetramethyldodecane
CID 175562493
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
ethane;heptane;2-methylpropane
CID 167499531
3-ethyl-2,3-dimethyldecane
CID 57491701
3-ethyl-2,3-dimethylnonane
CID 57490996
6-methyl-6-propan-2-ylundecane
CID 87930599
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
3,3-dimethylhexadecan-4-ylhydrazine
CID 105298722

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;2,3,3-trimethylpentane?
The IUPAC name of ethane;hexane;2,3,3-trimethylpentane (CID 143714855) is ethane;hexane;2,3,3-trimethylpentane.
What is the SMILES notation for ethane;hexane;2,3,3-trimethylpentane?
The canonical SMILES for ethane;hexane;2,3,3-trimethylpentane is CC.CC.CC.CCC(C)(C)C(C)C.CCCCCC.
What is the InChIKey of ethane;hexane;2,3,3-trimethylpentane?
The InChIKey is SUPUKBRGKBIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14.3C2H6/c1-6-8(4,5)7(2)3;1-3-5-6-4-2;3*1-2/h7H,6H2,1-5H3;3-6H2,1-2H3;3*1-2H3.
What are the key properties of ethane;hexane;2,3,3-trimethylpentane?
ethane;hexane;2,3,3-trimethylpentane has a molecular weight of 290.62 g/mol, XLogP of 8.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;2,3,3-trimethylpentane is sourced from PubChem (CID 143714855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).