23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate

C26H20O2 — CID 102168827

IUPAC23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate
SMILESCC(=O)OC1CC2c3cc4ccccc4cc3C1c1cc3ccccc3cc12
InChIInChI=1S/C26H20O2/c1-15(27)28-25-14-22-20-10-16-6-2-4-8-18(16)12-23(20)26(25)24-13-19-9-5-3-7-17(19)11-21(22)24/h2-13,22,25-26H,14H2,1H3
InChIKeySDXKNBWAYZLDKU-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.91
Rot. Bonds1

About 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate

23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate (PubChem CID 102168827) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate.

Molecular Properties

Compound Name23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate
PubChem CID102168827
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate
SMILESCC(=O)OC1CC2c3cc4ccccc4cc3C1c1cc3ccccc3cc12
InChIInChI=1S/C26H20O2/c1-15(27)28-25-14-22-20-10-16-6-2-4-8-18(16)12-23(20)26(25)24-13-19-9-5-3-7-17(19)11-21(22)24/h2-13,22,25-26H,14H2,1H3
InChIKeySDXKNBWAYZLDKU-UHFFFAOYSA-N
XLogP5.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate?
The IUPAC name of 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate (CID 102168827) is 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate.
What is the SMILES notation for 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate?
The canonical SMILES for 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate is CC(=O)OC1CC2c3cc4ccccc4cc3C1c1cc3ccccc3cc12.
What is the InChIKey of 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate?
The InChIKey is SDXKNBWAYZLDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c1-15(27)28-25-14-22-20-10-16-6-2-4-8-18(16)12-23(20)26(25)24-13-19-9-5-3-7-17(19)11-21(22)24/h2-13,22,25-26H,14H2,1H3.
What are the key properties of 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate?
23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate has a molecular weight of 364.44 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-hexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaenyl acetate is sourced from PubChem (CID 102168827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).