5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one

C48H86O5 — CID 162287913

IUPAC5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one
SMILESCC1CC(=O)CCCCCCCCCCC(=O)C1.CC1CC(=O)CCCCCCCCCCC(O)C1.CC1CC=CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O2.C16H28O2.C16H28O/c2*1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14;1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h14-15,17H,2-13H2,1H3;14H,2-13H2,1H3;8,10,15H,2-7,9,11-14H2,1H3
InChIKeyGLDKRBYPOFJWLQ-UHFFFAOYSA-N
MW743.21 g/mol
LogP13.76
Rot. Bonds

About 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one

5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one (PubChem CID 162287913) has the molecular formula C48H86O5 and a molecular weight of 743.21 g/mol. Its IUPAC name is 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one.

Molecular Properties

Compound Name5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one
PubChem CID162287913
Molecular FormulaC48H86O5
Molecular Weight743.21 g/mol
Exact Mass742.65
IUPAC Name5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one
SMILESCC1CC(=O)CCCCCCCCCCC(=O)C1.CC1CC(=O)CCCCCCCCCCC(O)C1.CC1CC=CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O2.C16H28O2.C16H28O/c2*1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14;1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h14-15,17H,2-13H2,1H3;14H,2-13H2,1H3;8,10,15H,2-7,9,11-14H2,1H3
InChIKeyGLDKRBYPOFJWLQ-UHFFFAOYSA-N
XLogP13.76
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.21
LogP ≤ 513.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oleoyl-palmitoyl-stearoylglycerol
CID 87356987
(2S,3E,8R,11R)-8-hydroxy-11-methyl-7-methylidene-4-propan-2-yl-2-prop-1-en-2-ylcyclododec-3-en-1-one
CID 162988254
Stearoyl-2-oleoyl-acetyl glycerol
CID 129725073
Linoleoyldilinolenoylglycerol
CID 129727553
Stearylricinoleic acid
CID 129727637
1,3-Dicapryloyl-oleylglycerol
CID 129830924
Hexahydro-geranylgeraniol
CID 129844711
Oleoyl-2-methylpropanol
CID 129853884
Caprylyl-dilinolenyl glycerol
CID 129854249
(10E)-20-hydroxy-19-methylcycloicos-10-en-1-one
CID 9836874
(10E)-20-hydroxy-2-methylcycloicos-10-en-1-one
CID 9858358
(10E)-20-hydroxy-3,18-dimethylcycloicos-10-en-1-one
CID 9902347

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one?
The IUPAC name of 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one (CID 162287913) is 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one.
What is the SMILES notation for 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one?
The canonical SMILES for 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one is CC1CC(=O)CCCCCCCCCCC(=O)C1.CC1CC(=O)CCCCCCCCCCC(O)C1.CC1CC=CCCCCCCCCCC(=O)C1.
What is the InChIKey of 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one?
The InChIKey is GLDKRBYPOFJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C16H28O2.C16H28O/c2*1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14;1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h14-15,17H,2-13H2,1H3;14H,2-13H2,1H3;8,10,15H,2-7,9,11-14H2,1H3.
What are the key properties of 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one?
5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one has a molecular weight of 743.21 g/mol, XLogP of 13.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methylcyclopentadecan-1-one;3-methylcyclopentadecane-1,5-dione;3-methylcyclopentadec-5-en-1-one is sourced from PubChem (CID 162287913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).