10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene

C18H10OS — CID 25212619

IUPAC10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C18H10OS/c1-3-7-15-11(5-1)13-10-18-14(9-16(13)19-15)12-6-2-4-8-17(12)20-18/h1-10H
InChIKeyBTZKYJGIFCHEAR-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.95
Rot. Bonds

About 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene

10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene (PubChem CID 25212619) has the molecular formula C18H10OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene.

Molecular Properties

Compound Name10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
PubChem CID25212619
Molecular FormulaC18H10OS
Molecular Weight274.34 g/mol
Exact Mass274.05
IUPAC Name10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C18H10OS/c1-3-7-15-11(5-1)13-10-18-14(9-16(13)19-15)12-6-2-4-8-17(12)20-18/h1-10H
InChIKeyBTZKYJGIFCHEAR-UHFFFAOYSA-N
XLogP5.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?
The IUPAC name of 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene (CID 25212619) is 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene.
What is the SMILES notation for 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?
The canonical SMILES for 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene is c1ccc2c(c1)oc1cc3c(cc12)sc1ccccc13.
What is the InChIKey of 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?
The InChIKey is BTZKYJGIFCHEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10OS/c1-3-7-15-11(5-1)13-10-18-14(9-16(13)19-15)12-6-2-4-8-17(12)20-18/h1-10H.
What are the key properties of 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?
10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene has a molecular weight of 274.34 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene is sourced from PubChem (CID 25212619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).