3-methylcyclopentadecane-1,5-dione

C16H28O2 — CID 11184330

IUPAC3-methylcyclopentadecane-1,5-dione
SMILESCC1CC(=O)CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H28O2/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14/h14H,2-13H2,1H3
InChIKeyFRTDAFYYAIXLRJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.46
Rot. Bonds

About 3-methylcyclopentadecane-1,5-dione

3-methylcyclopentadecane-1,5-dione (PubChem CID 11184330) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-methylcyclopentadecane-1,5-dione.

Molecular Properties

Compound Name3-methylcyclopentadecane-1,5-dione
PubChem CID11184330
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-methylcyclopentadecane-1,5-dione
SMILESCC1CC(=O)CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H28O2/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14/h14H,2-13H2,1H3
InChIKeyFRTDAFYYAIXLRJ-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylcyclooctan-1-one
CID 12892221
3-methylcycloheptan-1-one
CID 534955
3-(113C)methylcyclohexan-1-one
CID 11708054
(3R)-3-methylcyclopentadec-6-en-1-one
CID 71167606
3-methylbicyclo[13.1.0]hexadecan-5-one
CID 23149558
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
CID 158392775
6-methylcyclodecan-1-one
CID 121216307
ethane;3-methylcyclopentan-1-one
CID 142926670
3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
CID 69228186
3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one
CID 175112488
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
cyclotricosanone
CID 54375596

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentadecane-1,5-dione?
The IUPAC name of 3-methylcyclopentadecane-1,5-dione (CID 11184330) is 3-methylcyclopentadecane-1,5-dione.
What is the SMILES notation for 3-methylcyclopentadecane-1,5-dione?
The canonical SMILES for 3-methylcyclopentadecane-1,5-dione is CC1CC(=O)CCCCCCCCCCC(=O)C1.
What is the InChIKey of 3-methylcyclopentadecane-1,5-dione?
The InChIKey is FRTDAFYYAIXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14/h14H,2-13H2,1H3.
What are the key properties of 3-methylcyclopentadecane-1,5-dione?
3-methylcyclopentadecane-1,5-dione has a molecular weight of 252.40 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentadecane-1,5-dione is sourced from PubChem (CID 11184330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).