1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane

C15H30 — CID 123289124

IUPAC1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
SMILESCCC(C)CC(C)CC(C)C1CC(C)C1
InChIInChI=1S/C15H30/c1-6-11(2)7-12(3)8-14(5)15-9-13(4)10-15/h11-15H,6-10H2,1-5H3
InChIKeyCPQHCLJJPOBCDN-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds6

About 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane

1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane (PubChem CID 123289124) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
PubChem CID123289124
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
SMILESCCC(C)CC(C)CC(C)C1CC(C)C1
InChIInChI=1S/C15H30/c1-6-11(2)7-12(3)8-14(5)15-9-13(4)10-15/h11-15H,6-10H2,1-5H3
InChIKeyCPQHCLJJPOBCDN-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
4-(3,5-dimethylcyclohexyl)pentan-2-ol
CID 64730562
3,5,7,10,12-pentamethyltetradecane
CID 59582352
4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64729558
1-(4-chlorobutan-2-yl)-3-methylcyclobutane
CID 123326544
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171
1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
3,5-dimethylheptane;ethane
CID 172617343
3,5,7,9-tetramethyldodecane
CID 91047062
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
1,4-dimethyl-2-(5-methylheptan-3-yl)cyclopentane
CID 123939374

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane?
The IUPAC name of 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane (CID 123289124) is 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane.
What is the SMILES notation for 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane?
The canonical SMILES for 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane is CCC(C)CC(C)CC(C)C1CC(C)C1.
What is the InChIKey of 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane?
The InChIKey is CPQHCLJJPOBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-11(2)7-12(3)8-14(5)15-9-13(4)10-15/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane?
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane is sourced from PubChem (CID 123289124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).