1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane

C17H34 — CID 123804520

IUPAC1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane
SMILESCC(C)C(C)(C)CC(C)C1(C)CC(C)C1(C)C
InChIInChI=1S/C17H34/c1-12(2)15(5,6)10-14(4)17(9)11-13(3)16(17,7)8/h12-14H,10-11H2,1-9H3
InChIKeyAYIMTZVOKJOIPX-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds4

About 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane

1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane (PubChem CID 123804520) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane
PubChem CID123804520
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane
SMILESCC(C)C(C)(C)CC(C)C1(C)CC(C)C1(C)C
InChIInChI=1S/C17H34/c1-12(2)15(5,6)10-14(4)17(9)11-13(3)16(17,7)8/h12-14H,10-11H2,1-9H3
InChIKeyAYIMTZVOKJOIPX-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane?
The IUPAC name of 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane (CID 123804520) is 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane.
What is the SMILES notation for 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane?
The canonical SMILES for 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane is CC(C)C(C)(C)CC(C)C1(C)CC(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane?
The InChIKey is AYIMTZVOKJOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-12(2)15(5,6)10-14(4)17(9)11-13(3)16(17,7)8/h12-14H,10-11H2,1-9H3.
What are the key properties of 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane?
1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane is sourced from PubChem (CID 123804520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).