2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane

C26H50O — CID 57242261

IUPAC2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane
SMILESCCCCCCCC1(OC2(CCCCCCC)CCC2CC)CCC1CC
InChIInChI=1S/C26H50O/c1-5-9-11-13-15-19-25(21-17-23(25)7-3)27-26(22-18-24(26)8-4)20-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3
InChIKeyFWQZQGWLDKGMBF-UHFFFAOYSA-N
MW378.69 g/mol
LogP8.84
Rot. Bonds16

About 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane

2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane (PubChem CID 57242261) has the molecular formula C26H50O and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane
PubChem CID57242261
Molecular FormulaC26H50O
Molecular Weight378.69 g/mol
Exact Mass378.39
IUPAC Name2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane
SMILESCCCCCCCC1(OC2(CCCCCCC)CCC2CC)CCC1CC
InChIInChI=1S/C26H50O/c1-5-9-11-13-15-19-25(21-17-23(25)7-3)27-26(22-18-24(26)8-4)20-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3
InChIKeyFWQZQGWLDKGMBF-UHFFFAOYSA-N
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dibutyl-2-ethylcyclobutane
CID 123938978
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
2-ethyl-1-hexylcyclopropan-1-ol
CID 85299282
1-decyl-4-ethylcyclohexan-1-ol
CID 65147378
2-hexyl-1,1-dimethoxycyclobutane
CID 11412991
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
1-pentylbicyclo[2.2.2]octane
CID 13184608
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
2-ethyl-1-hexadecylcyclopropane-1-carboxylic acid
CID 57080968
(1-dodecyl-2-methylcyclopropyl) 2,2-dimethylpropanoate
CID 90836532
1-heptyl-7-thiabicyclo[2.2.1]heptane
CID 163990010

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane?
The IUPAC name of 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane (CID 57242261) is 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane?
The canonical SMILES for 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane is CCCCCCCC1(OC2(CCCCCCC)CCC2CC)CCC1CC.
What is the InChIKey of 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane?
The InChIKey is FWQZQGWLDKGMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O/c1-5-9-11-13-15-19-25(21-17-23(25)7-3)27-26(22-18-24(26)8-4)20-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane?
2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane has a molecular weight of 378.69 g/mol, XLogP of 8.84, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane is sourced from PubChem (CID 57242261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).