1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane

C16H32 — CID 123489822

IUPAC1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
SMILESCCC(C)CCC(C)CC(C)C1CC(C)C1
InChIInChI=1S/C16H32/c1-6-12(2)7-8-13(3)9-15(5)16-10-14(4)11-16/h12-16H,6-11H2,1-5H3
InChIKeyYXSDQILPZPGXEW-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.52
Rot. Bonds7

About 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane

1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane (PubChem CID 123489822) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
PubChem CID123489822
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
SMILESCCC(C)CCC(C)CC(C)C1CC(C)C1
InChIInChI=1S/C16H32/c1-6-12(2)7-8-13(3)9-15(5)16-10-14(4)11-16/h12-16H,6-11H2,1-5H3
InChIKeyYXSDQILPZPGXEW-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane?
The IUPAC name of 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane (CID 123489822) is 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane.
What is the SMILES notation for 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane?
The canonical SMILES for 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane is CCC(C)CCC(C)CC(C)C1CC(C)C1.
What is the InChIKey of 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane?
The InChIKey is YXSDQILPZPGXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-12(2)7-8-13(3)9-15(5)16-10-14(4)11-16/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane?
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane has a molecular weight of 224.43 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane is sourced from PubChem (CID 123489822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).