(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one

C16H28O2 — CID 28765601

IUPAC(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
SMILESO=C1O[C@@H]2CCCCCCCCCCCCC[C@H]12
InChIInChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h14-15H,1-13H2/t14-,15+/m0/s1
InChIKeyCBDACFVQPFMYLZ-LSDHHAIUSA-N
MW252.40 g/mol
LogP4.61
Rot. Bonds

About (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one

(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one (PubChem CID 28765601) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one.

Molecular Properties

Compound Name(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
PubChem CID28765601
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
SMILESO=C1O[C@@H]2CCCCCCCCCCCCC[C@H]12
InChIInChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h14-15H,1-13H2/t14-,15+/m0/s1
InChIKeyCBDACFVQPFMYLZ-LSDHHAIUSA-N
XLogP4.61
TPSA26.30 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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-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

(1R,12R)-13-oxabicyclo[10.2.0]tetradecan-14-one
CID 101342521
(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
CID 101405571
(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
CID 10352283
8-amino-6-oxabicyclo[3.2.1]octan-7-one
CID 72998660
3-methylidene-3a,4,5,6,7,8,9,10,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one
CID 14543194
(3S,3aS,8aS)-3-amino-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-2-one
CID 57462564
(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810
(3R,3aS,9aR)-3-chloro-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
CID 13466804
(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
CID 57255921
(1S,9E,15R)-18-methylidene-16-oxabicyclo[13.3.0]octadec-9-en-17-one
CID 177410981
(1S,2S,6R,7R)-8-oxatricyclo[5.2.2.02,6]undecan-9-one
CID 101453700
(3S,3aR,7aS)-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 92860709

Frequently Asked Questions

What is the IUPAC name of (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one?
The IUPAC name of (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one (CID 28765601) is (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one.
What is the SMILES notation for (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one?
The canonical SMILES for (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one is O=C1O[C@@H]2CCCCCCCCCCCCC[C@H]12.
What is the InChIKey of (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one?
The InChIKey is CBDACFVQPFMYLZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h14-15H,1-13H2/t14-,15+/m0/s1.
What are the key properties of (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one?
(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one has a molecular weight of 252.40 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one is sourced from PubChem (CID 28765601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).