23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one

C23H14O2 — CID 70790467

IUPAC23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one
SMILESO=C1OC2c3cc4ccccc4cc3C1c1cc3ccccc3cc12
InChIInChI=1S/C23H14O2/c24-23-21-17-9-13-5-1-3-7-15(13)11-19(17)22(25-23)20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12,21-22H
InChIKeyOEXYVLKFOPYBBF-UHFFFAOYSA-N
MW322.36 g/mol
LogP5.08
Rot. Bonds

About 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one

23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one (PubChem CID 70790467) has the molecular formula C23H14O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one.

Molecular Properties

Compound Name23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one
PubChem CID70790467
Molecular FormulaC23H14O2
Molecular Weight322.36 g/mol
Exact Mass322.10
IUPAC Name23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one
SMILESO=C1OC2c3cc4ccccc4cc3C1c1cc3ccccc3cc12
InChIInChI=1S/C23H14O2/c24-23-21-17-9-13-5-1-3-7-15(13)11-19(17)22(25-23)20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12,21-22H
InChIKeyOEXYVLKFOPYBBF-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one?
The IUPAC name of 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one (CID 70790467) is 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one.
What is the SMILES notation for 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one?
The canonical SMILES for 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one is O=C1OC2c3cc4ccccc4cc3C1c1cc3ccccc3cc12.
What is the InChIKey of 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one?
The InChIKey is OEXYVLKFOPYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O2/c24-23-21-17-9-13-5-1-3-7-15(13)11-19(17)22(25-23)20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12,21-22H.
What are the key properties of 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one?
23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one has a molecular weight of 322.36 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-oxahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-one is sourced from PubChem (CID 70790467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).