2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane

C13H26 — CID 90789803

IUPAC2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane
SMILESCCCC1CC(C(C)C(C)C)C1C
InChIInChI=1S/C13H26/c1-6-7-12-8-13(11(12)5)10(4)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyCFMYTIAERVACAA-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds4

About 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane

2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane (PubChem CID 90789803) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane
PubChem CID90789803
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane
SMILESCCCC1CC(C(C)C(C)C)C1C
InChIInChI=1S/C13H26/c1-6-7-12-8-13(11(12)5)10(4)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyCFMYTIAERVACAA-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane?
The IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane (CID 90789803) is 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane.
What is the SMILES notation for 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane?
The canonical SMILES for 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane is CCCC1CC(C(C)C(C)C)C1C.
What is the InChIKey of 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane?
The InChIKey is CFMYTIAERVACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-7-12-8-13(11(12)5)10(4)9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane?
2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane is sourced from PubChem (CID 90789803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).