3-methylcyclopentadecan-1-one

C16H30O — CID 10947

IUPAC3-methylcyclopentadecan-1-one
SMILESCC1CCCCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
InChIKeyALHUZKCOMYUFRB-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.28
Rot. Bonds

About 3-methylcyclopentadecan-1-one

3-methylcyclopentadecan-1-one (PubChem CID 10947) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-methylcyclopentadecan-1-one.

Molecular Properties

Compound Name3-methylcyclopentadecan-1-one
PubChem CID10947
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-methylcyclopentadecan-1-one
SMILESCC1CCCCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
InChIKeyALHUZKCOMYUFRB-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentadecan-1-one?
The IUPAC name of 3-methylcyclopentadecan-1-one (CID 10947) is 3-methylcyclopentadecan-1-one.
What is the SMILES notation for 3-methylcyclopentadecan-1-one?
The canonical SMILES for 3-methylcyclopentadecan-1-one is CC1CCCCCCCCCCCCC(=O)C1.
What is the InChIKey of 3-methylcyclopentadecan-1-one?
The InChIKey is ALHUZKCOMYUFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3.
What are the key properties of 3-methylcyclopentadecan-1-one?
3-methylcyclopentadecan-1-one has a molecular weight of 238.41 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentadecan-1-one is sourced from PubChem (CID 10947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).