1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane

C14H28 — CID 123422470

IUPAC1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane
SMILESCC(C)C(C)C(C)CCC1CCC1C
InChIInChI=1S/C14H28/c1-10(2)13(5)11(3)6-8-14-9-7-12(14)4/h10-14H,6-9H2,1-5H3
InChIKeyOAGLAZJXILZIAG-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds5

About 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane

1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane (PubChem CID 123422470) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane.

Molecular Properties

Compound Name1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane
PubChem CID123422470
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane
SMILESCC(C)C(C)C(C)CCC1CCC1C
InChIInChI=1S/C14H28/c1-10(2)13(5)11(3)6-8-14-9-7-12(14)4/h10-14H,6-9H2,1-5H3
InChIKeyOAGLAZJXILZIAG-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
3-Methylnonane
CID 22202
2,3-Dimethylheptane
CID 26375
4-Methylnonane
CID 28455
4,5-Dimethylnonane
CID 86541
3,5-Dimethyloctane
CID 139989
3-Methyloctane
CID 16664
Heptane, 2,3,6-trimethyl-
CID 19944
2,6-Dimethylundecane
CID 28453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane?
The IUPAC name of 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane (CID 123422470) is 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane.
What is the SMILES notation for 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane?
The canonical SMILES for 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane is CC(C)C(C)C(C)CCC1CCC1C.
What is the InChIKey of 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane?
The InChIKey is OAGLAZJXILZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)13(5)11(3)6-8-14-9-7-12(14)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane?
1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane is sourced from PubChem (CID 123422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).