(17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one

C16H28O2S2 — CID 11056200

IUPAC(17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one
SMILESC[C@@H]1CC2(CCCCCCCCC(=O)O1)SCCCS2
InChIInChI=1S/C16H28O2S2/c1-14-13-16(19-11-8-12-20-16)10-7-5-3-2-4-6-9-15(17)18-14/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyLHHCDOAFGOIMLC-CQSZACIVSA-N
MW316.53 g/mol
LogP5.01
Rot. Bonds

About (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one

(17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one (PubChem CID 11056200) has the molecular formula C16H28O2S2 and a molecular weight of 316.53 g/mol. Its IUPAC name is (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one.

Molecular Properties

Compound Name(17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one
PubChem CID11056200
Molecular FormulaC16H28O2S2
Molecular Weight316.53 g/mol
Exact Mass316.15
IUPAC Name(17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one
SMILESC[C@@H]1CC2(CCCCCCCCC(=O)O1)SCCCS2
InChIInChI=1S/C16H28O2S2/c1-14-13-16(19-11-8-12-20-16)10-7-5-3-2-4-6-9-15(17)18-14/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyLHHCDOAFGOIMLC-CQSZACIVSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one?
The IUPAC name of (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one (CID 11056200) is (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one.
What is the SMILES notation for (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one?
The canonical SMILES for (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one is C[C@@H]1CC2(CCCCCCCCC(=O)O1)SCCCS2.
What is the InChIKey of (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one?
The InChIKey is LHHCDOAFGOIMLC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28O2S2/c1-14-13-16(19-11-8-12-20-16)10-7-5-3-2-4-6-9-15(17)18-14/h14H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one?
(17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one has a molecular weight of 316.53 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-17-methyl-16-oxa-1,5-dithiaspiro[5.12]octadecan-15-one is sourced from PubChem (CID 11056200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).