1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane

C15H30 — CID 59073306

IUPAC1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane
SMILESCCCC1(CC)CC(C)(CC)C1(C)CC
InChIInChI=1S/C15H30/c1-7-11-15(10-4)12-13(5,8-2)14(15,6)9-3/h7-12H2,1-6H3
InChIKeyOSLQYLRDXSWGMD-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds5

About 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane

1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane (PubChem CID 59073306) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane.

Molecular Properties

Compound Name1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane
PubChem CID59073306
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane
SMILESCCCC1(CC)CC(C)(CC)C1(C)CC
InChIInChI=1S/C15H30/c1-7-11-15(10-4)12-13(5,8-2)14(15,6)9-3/h7-12H2,1-6H3
InChIKeyOSLQYLRDXSWGMD-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane
CID 123227664
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
1-ethyl-2-methyl-2-propylcyclopropan-1-ol
CID 123991242
1,1-difluoro-2-(2-methylpropyl)-2-propylcyclopropane
CID 170411670
1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
CID 68738336
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
CID 123234832
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
CID 143682389
1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
CID 123467509
2-(2-butyl-2-methyl-1-propylcyclopentyl)ethanol
CID 71153667

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane?
The IUPAC name of 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane (CID 59073306) is 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane.
What is the SMILES notation for 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane?
The canonical SMILES for 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane is CCCC1(CC)CC(C)(CC)C1(C)CC.
What is the InChIKey of 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane?
The InChIKey is OSLQYLRDXSWGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-7-11-15(10-4)12-13(5,8-2)14(15,6)9-3/h7-12H2,1-6H3.
What are the key properties of 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane?
1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane is sourced from PubChem (CID 59073306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).