1-ethyl-2-pentan-2-yl-3-pentylcyclobutane

C16H32 — CID 123411322

IUPAC1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
SMILESCCCCCC1CC(CC)C1C(C)CCC
InChIInChI=1S/C16H32/c1-5-8-9-11-15-12-14(7-3)16(15)13(4)10-6-2/h13-16H,5-12H2,1-4H3
InChIKeyXAURPMJYSCELCE-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds8

About 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane

1-ethyl-2-pentan-2-yl-3-pentylcyclobutane (PubChem CID 123411322) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane.

Molecular Properties

Compound Name1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
PubChem CID123411322
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
SMILESCCCCCC1CC(CC)C1C(C)CCC
InChIInChI=1S/C16H32/c1-5-8-9-11-15-12-14(7-3)16(15)13(4)10-6-2/h13-16H,5-12H2,1-4H3
InChIKeyXAURPMJYSCELCE-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
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

1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-methyl-2-pentan-2-yl-3-pentylcyclopropane
CID 91342380
1-butyl-2-ethyl-5-pentan-2-ylcycloheptane
CID 123958612
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane?
The IUPAC name of 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane (CID 123411322) is 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane.
What is the SMILES notation for 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane?
The canonical SMILES for 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane is CCCCCC1CC(CC)C1C(C)CCC.
What is the InChIKey of 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane?
The InChIKey is XAURPMJYSCELCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-8-9-11-15-12-14(7-3)16(15)13(4)10-6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane?
1-ethyl-2-pentan-2-yl-3-pentylcyclobutane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pentan-2-yl-3-pentylcyclobutane is sourced from PubChem (CID 123411322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).