(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione

C17H28O3 — CID 102303451

IUPAC(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione
SMILESC[C@H]1[C@H]2C(=O)CCCCCCCCCCCOC(=O)[C@H]12
InChIInChI=1S/C17H28O3/c1-13-15-14(18)11-9-7-5-3-2-4-6-8-10-12-20-17(19)16(13)15/h13,15-16H,2-12H2,1H3/t13-,15-,16+/m0/s1
InChIKeyLTSHLFVKDNBMNE-CWRNSKLLSA-N
MW280.41 g/mol
LogP3.90
Rot. Bonds

About (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione

(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione (PubChem CID 102303451) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione.

Molecular Properties

Compound Name(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione
PubChem CID102303451
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione
SMILESC[C@H]1[C@H]2C(=O)CCCCCCCCCCCOC(=O)[C@H]12
InChIInChI=1S/C17H28O3/c1-13-15-14(18)11-9-7-5-3-2-4-6-8-10-12-20-17(19)16(13)15/h13,15-16H,2-12H2,1H3/t13-,15-,16+/m0/s1
InChIKeyLTSHLFVKDNBMNE-CWRNSKLLSA-N
XLogP3.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione 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

6-methyloxan-2-one;oxepan-2-one
CID 167589650
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione
CID 177462972
(3R)-3-methyloxan-2-one
CID 11804714
6-methyl-1,4-dioxacycloheptadecane-5,17-dione
CID 19702284
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
1,6-dioxacyclohexadecane-2,5-dione
CID 22483454
1,6-dioxacyclohexacosane-2,5-dione
CID 121270960

Frequently Asked Questions

What is the IUPAC name of (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione?
The IUPAC name of (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione (CID 102303451) is (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione.
What is the SMILES notation for (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione?
The canonical SMILES for (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione is C[C@H]1[C@H]2C(=O)CCCCCCCCCCCOC(=O)[C@H]12.
What is the InChIKey of (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione?
The InChIKey is LTSHLFVKDNBMNE-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H28O3/c1-13-15-14(18)11-9-7-5-3-2-4-6-8-10-12-20-17(19)16(13)15/h13,15-16H,2-12H2,1H3/t13-,15-,16+/m0/s1.
What are the key properties of (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione?
(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione has a molecular weight of 280.41 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione is sourced from PubChem (CID 102303451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).