12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene

C24H20OS — CID 171985344

IUPAC12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene
SMILESc1ccc2c(c1)CCC1=C2SCC2COc3ccc4ccccc4c3C12
InChIInChI=1S/C24H20OS/c1-3-7-18-15(5-1)10-12-21-23(18)22-17(13-25-21)14-26-24-19-8-4-2-6-16(19)9-11-20(22)24/h1-8,10,12,17,22H,9,11,13-14H2
InChIKeyGIPLSFIANJQQFI-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.04
Rot. Bonds

About 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene

12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene (PubChem CID 171985344) has the molecular formula C24H20OS and a molecular weight of 356.49 g/mol. Its IUPAC name is 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene.

Molecular Properties

Compound Name12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene
PubChem CID171985344
Molecular FormulaC24H20OS
Molecular Weight356.49 g/mol
Exact Mass356.12
IUPAC Name12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene
SMILESc1ccc2c(c1)CCC1=C2SCC2COc3ccc4ccccc4c3C12
InChIInChI=1S/C24H20OS/c1-3-7-18-15(5-1)10-12-21-23(18)22-17(13-25-21)14-26-24-19-8-4-2-6-16(19)9-11-20(22)24/h1-8,10,12,17,22H,9,11,13-14H2
InChIKeyGIPLSFIANJQQFI-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene 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 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene?
The IUPAC name of 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene (CID 171985344) is 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene.
What is the SMILES notation for 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene?
The canonical SMILES for 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene is c1ccc2c(c1)CCC1=C2SCC2COc3ccc4ccccc4c3C12.
What is the InChIKey of 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene?
The InChIKey is GIPLSFIANJQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20OS/c1-3-7-18-15(5-1)10-12-21-23(18)22-17(13-25-21)14-26-24-19-8-4-2-6-16(19)9-11-20(22)24/h1-8,10,12,17,22H,9,11,13-14H2.
What are the key properties of 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene?
12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene has a molecular weight of 356.49 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxa-16-thiahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,9,17(26),18,20,22-nonaene is sourced from PubChem (CID 171985344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).