2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene

C18H22O5 — CID 2760173

IUPAC2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene
SMILESc1ccc2cc3c(cc2c1)OCCOCCOCCOCCO3
InChIInChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
InChIKeyBDTDDXDRCOLVNJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.66
Rot. Bonds

About 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene

2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene (PubChem CID 2760173) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene.

Molecular Properties

Compound Name2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene
PubChem CID2760173
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene
SMILESc1ccc2cc3c(cc2c1)OCCOCCOCCOCCO3
InChIInChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
InChIKeyBDTDDXDRCOLVNJ-UHFFFAOYSA-N
XLogP2.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene?
The IUPAC name of 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene (CID 2760173) is 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene.
What is the SMILES notation for 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene?
The canonical SMILES for 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene is c1ccc2cc3c(cc2c1)OCCOCCOCCOCCO3.
What is the InChIKey of 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene?
The InChIKey is BDTDDXDRCOLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2.
What are the key properties of 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene?
2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene has a molecular weight of 318.37 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene is sourced from PubChem (CID 2760173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).