ethane;ethylcyclobutane;3-ethylhexane

C16H36 — CID 143637843

IUPACethane;ethylcyclobutane;3-ethylhexane
SMILESCC.CCC1CCC1.CCCC(CC)CC
InChIInChI=1S/C8H18.C6H12.C2H6/c1-4-7-8(5-2)6-3;1-2-6-4-3-5-6;1-2/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;1-2H3
InChIKeyVZBCBYZLECMSGY-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.45
Rot. Bonds5

About ethane;ethylcyclobutane;3-ethylhexane

ethane;ethylcyclobutane;3-ethylhexane (PubChem CID 143637843) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is ethane;ethylcyclobutane;3-ethylhexane.

Molecular Properties

Compound Nameethane;ethylcyclobutane;3-ethylhexane
PubChem CID143637843
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameethane;ethylcyclobutane;3-ethylhexane
SMILESCC.CCC1CCC1.CCCC(CC)CC
InChIInChI=1S/C8H18.C6H12.C2H6/c1-4-7-8(5-2)6-3;1-2-6-4-3-5-6;1-2/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;1-2H3
InChIKeyVZBCBYZLECMSGY-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-Tetramethylcyclobutane
CID 544590
Dodecylcyclobutane
CID 15801269
1,3-Diethylecyclobutane
CID 18710462
2-Methylhexane 3-methylhexane
CID 123646192
Tetradecylcyclobutane
CID 15801270
Hexadecylcyclobutane
CID 18436600
Pentadecylcyclobutane
CID 20063130
Magnesium bis(3-ethylhexane)
CID 20493291
1-Methyl-3-propan-2-ylcyclobutane
CID 22614138
Octadecylcyclobutane
CID 53886372
Butane;hexane;2-methylbutane;2-methylpentane;3-methylpentane;pentane
CID 53915296
Ethane;1,2,3,4-tetramethylcyclobutane
CID 54308339

Frequently Asked Questions

What is the IUPAC name of ethane;ethylcyclobutane;3-ethylhexane?
The IUPAC name of ethane;ethylcyclobutane;3-ethylhexane (CID 143637843) is ethane;ethylcyclobutane;3-ethylhexane.
What is the SMILES notation for ethane;ethylcyclobutane;3-ethylhexane?
The canonical SMILES for ethane;ethylcyclobutane;3-ethylhexane is CC.CCC1CCC1.CCCC(CC)CC.
What is the InChIKey of ethane;ethylcyclobutane;3-ethylhexane?
The InChIKey is VZBCBYZLECMSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H12.C2H6/c1-4-7-8(5-2)6-3;1-2-6-4-3-5-6;1-2/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;ethylcyclobutane;3-ethylhexane?
ethane;ethylcyclobutane;3-ethylhexane has a molecular weight of 228.46 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylcyclobutane;3-ethylhexane is sourced from PubChem (CID 143637843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).