2-methyl-1-(1-methylcycloundecyl)propan-1-one

C16H30O — CID 123902684

IUPAC2-methyl-1-(1-methylcycloundecyl)propan-1-one
SMILESCC(C)C(=O)C1(C)CCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-14(2)15(17)16(3)12-10-8-6-4-5-7-9-11-13-16/h14H,4-13H2,1-3H3
InChIKeyYEFHKOVGMYFBKM-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.13
Rot. Bonds2

About 2-methyl-1-(1-methylcycloundecyl)propan-1-one

2-methyl-1-(1-methylcycloundecyl)propan-1-one (PubChem CID 123902684) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-methyl-1-(1-methylcycloundecyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylcycloundecyl)propan-1-one
PubChem CID123902684
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-methyl-1-(1-methylcycloundecyl)propan-1-one
SMILESCC(C)C(=O)C1(C)CCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-14(2)15(17)16(3)12-10-8-6-4-5-7-9-11-13-16/h14H,4-13H2,1-3H3
InChIKeyYEFHKOVGMYFBKM-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylcycloundecyl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-methylcycloundecyl)propan-1-one (CID 123902684) is 2-methyl-1-(1-methylcycloundecyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylcycloundecyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylcycloundecyl)propan-1-one is CC(C)C(=O)C1(C)CCCCCCCCCC1.
What is the InChIKey of 2-methyl-1-(1-methylcycloundecyl)propan-1-one?
The InChIKey is YEFHKOVGMYFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-14(2)15(17)16(3)12-10-8-6-4-5-7-9-11-13-16/h14H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylcycloundecyl)propan-1-one?
2-methyl-1-(1-methylcycloundecyl)propan-1-one has a molecular weight of 238.41 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylcycloundecyl)propan-1-one is sourced from PubChem (CID 123902684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).