1,1-dibutyl-2-ethylcyclobutane

C14H28 — CID 123938978

IUPAC1,1-dibutyl-2-ethylcyclobutane
SMILESCCCCC1(CCCC)CCC1CC
InChIInChI=1S/C14H28/c1-4-7-10-14(11-8-5-2)12-9-13(14)6-3/h13H,4-12H2,1-3H3
InChIKeyLDWRALMHAJPGKU-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds7

About 1,1-dibutyl-2-ethylcyclobutane

1,1-dibutyl-2-ethylcyclobutane (PubChem CID 123938978) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1-dibutyl-2-ethylcyclobutane.

Molecular Properties

Compound Name1,1-dibutyl-2-ethylcyclobutane
PubChem CID123938978
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1-dibutyl-2-ethylcyclobutane
SMILESCCCCC1(CCCC)CCC1CC
InChIInChI=1S/C14H28/c1-4-7-10-14(11-8-5-2)12-9-13(14)6-3/h13H,4-12H2,1-3H3
InChIKeyLDWRALMHAJPGKU-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-(2-ethyl-1-heptylcyclobutyl)oxy-1-heptylcyclobutane
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1-butyl-1-(1-butyl-2-methylcyclohexyl)sulfanyl-2-methylcyclohexane
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1,1-dibutyl-4-methylcyclohexane
CID 147112544
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
CID 139913828
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
4,4-dibutylcyclohexan-1-ol
CID 154113333
CID 123789898
CID 123789898
CID 173483395
CID 173483395
1-butyl-1,3-diethylcyclopentane
CID 144986630
1-butylcyclohexane-1,2-diamine;dihydrochloride
CID 174736992

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-2-ethylcyclobutane?
The IUPAC name of 1,1-dibutyl-2-ethylcyclobutane (CID 123938978) is 1,1-dibutyl-2-ethylcyclobutane.
What is the SMILES notation for 1,1-dibutyl-2-ethylcyclobutane?
The canonical SMILES for 1,1-dibutyl-2-ethylcyclobutane is CCCCC1(CCCC)CCC1CC.
What is the InChIKey of 1,1-dibutyl-2-ethylcyclobutane?
The InChIKey is LDWRALMHAJPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-7-10-14(11-8-5-2)12-9-13(14)6-3/h13H,4-12H2,1-3H3.
What are the key properties of 1,1-dibutyl-2-ethylcyclobutane?
1,1-dibutyl-2-ethylcyclobutane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-2-ethylcyclobutane is sourced from PubChem (CID 123938978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).