1,3-diethylcyclobutane;methane;propane

C15H36 — CID 161327157

IUPAC1,3-diethylcyclobutane;methane;propane
SMILESC.CCC.CCC.CCC1CC(CC)C1
InChIInChI=1S/C8H16.2C3H8.CH4/c1-3-7-5-8(4-2)6-7;2*1-3-2;/h7-8H,3-6H2,1-2H3;2*3H2,1-2H3;1H4
InChIKeyVKXNPIDFBIHMNZ-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.30
Rot. Bonds2

About 1,3-diethylcyclobutane;methane;propane

1,3-diethylcyclobutane;methane;propane (PubChem CID 161327157) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is 1,3-diethylcyclobutane;methane;propane.

Molecular Properties

Compound Name1,3-diethylcyclobutane;methane;propane
PubChem CID161327157
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Name1,3-diethylcyclobutane;methane;propane
SMILESC.CCC.CCC.CCC1CC(CC)C1
InChIInChI=1S/C8H16.2C3H8.CH4/c1-3-7-5-8(4-2)6-7;2*1-3-2;/h7-8H,3-6H2,1-2H3;2*3H2,1-2H3;1H4
InChIKeyVKXNPIDFBIHMNZ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-(iodomethyl)cyclobutane
CID 89033986
1,3-diethylcyclopentane
CID 530396
(3,5-diethylcyclohexyl)methanethiol
CID 170673296
3-ethylbicyclo[3.1.1]heptane
CID 59715790
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
(1S,5R)-3-ethylbicyclo[3.1.0]hexane
CID 154521866
1-ethyl-3-methanidylcyclobutane
CID 90731604
1-chloro-3-ethylcyclobutane
CID 57207865
4-ethyl-1,2-difluorocyclopentane
CID 76762029
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
1-(2-cyclobutylethyl)-3-ethylcyclobutane
CID 123886657
1-cyclopropyl-3-ethylcyclobutane
CID 123813009

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclobutane;methane;propane?
The IUPAC name of 1,3-diethylcyclobutane;methane;propane (CID 161327157) is 1,3-diethylcyclobutane;methane;propane.
What is the SMILES notation for 1,3-diethylcyclobutane;methane;propane?
The canonical SMILES for 1,3-diethylcyclobutane;methane;propane is C.CCC.CCC.CCC1CC(CC)C1.
What is the InChIKey of 1,3-diethylcyclobutane;methane;propane?
The InChIKey is VKXNPIDFBIHMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C3H8.CH4/c1-3-7-5-8(4-2)6-7;2*1-3-2;/h7-8H,3-6H2,1-2H3;2*3H2,1-2H3;1H4.
What are the key properties of 1,3-diethylcyclobutane;methane;propane?
1,3-diethylcyclobutane;methane;propane has a molecular weight of 216.45 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclobutane;methane;propane is sourced from PubChem (CID 161327157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).