1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane

C12H24 — CID 123778279

IUPAC1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
SMILESCCC(C)CC1(C)CC(C)C1C
InChIInChI=1S/C12H24/c1-6-9(2)7-12(5)8-10(3)11(12)4/h9-11H,6-8H2,1-5H3
InChIKeyHGMQZVMHVHKSDC-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds3

About 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane

1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane (PubChem CID 123778279) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
PubChem CID123778279
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
SMILESCCC(C)CC1(C)CC(C)C1C
InChIInChI=1S/C12H24/c1-6-9(2)7-12(5)8-10(3)11(12)4/h9-11H,6-8H2,1-5H3
InChIKeyHGMQZVMHVHKSDC-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane?
The IUPAC name of 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane (CID 123778279) is 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane.
What is the SMILES notation for 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane?
The canonical SMILES for 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane is CCC(C)CC1(C)CC(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane?
The InChIKey is HGMQZVMHVHKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-9(2)7-12(5)8-10(3)11(12)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane?
1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane is sourced from PubChem (CID 123778279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).