1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane

C13H26 — CID 90723847

IUPAC1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
SMILESCCC(C)C1CCC1C(C)C(C)C
InChIInChI=1S/C13H26/c1-6-10(4)12-7-8-13(12)11(5)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyMQPDKIQHNSBJPG-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds4

About 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane

1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane (PubChem CID 90723847) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane.

Molecular Properties

Compound Name1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
PubChem CID90723847
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
SMILESCCC(C)C1CCC1C(C)C(C)C
InChIInChI=1S/C13H26/c1-6-10(4)12-7-8-13(12)11(5)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyMQPDKIQHNSBJPG-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 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane?
The IUPAC name of 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane (CID 90723847) is 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane.
What is the SMILES notation for 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane?
The canonical SMILES for 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane is CCC(C)C1CCC1C(C)C(C)C.
What is the InChIKey of 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane?
The InChIKey is MQPDKIQHNSBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-10(4)12-7-8-13(12)11(5)9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane?
1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane 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 1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane is sourced from PubChem (CID 90723847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).