3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene

C48H48O6 — CID 10919641

IUPAC3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene
SMILESc1cc2cc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COC2
InChIInChI=1S/C48H48O6/c1-7-37-19-38(8-1)26-50-28-40-10-3-12-42(21-40)30-52-32-44-14-5-16-46(23-44)34-54-36-48-18-6-17-47(24-48)35-53-33-45-15-4-13-43(22-45)31-51-29-41-11-2-9-39(20-41)27-49-25-37/h1-24H,25-36H2
InChIKeyQGUOFWVBDWQHPJ-UHFFFAOYSA-N
MW720.91 g/mol
LogP10.30
Rot. Bonds

About 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene

3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene (PubChem CID 10919641) has the molecular formula C48H48O6 and a molecular weight of 720.91 g/mol. Its IUPAC name is 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene.

Molecular Properties

Compound Name3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene
PubChem CID10919641
Molecular FormulaC48H48O6
Molecular Weight720.91 g/mol
Exact Mass720.35
IUPAC Name3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene
SMILESc1cc2cc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COC2
InChIInChI=1S/C48H48O6/c1-7-37-19-38(8-1)26-50-28-40-10-3-12-42(21-40)30-52-32-44-14-5-16-46(23-44)34-54-36-48-18-6-17-47(24-48)35-53-33-45-15-4-13-43(22-45)31-51-29-41-11-2-9-39(20-41)27-49-25-37/h1-24H,25-36H2
InChIKeyQGUOFWVBDWQHPJ-UHFFFAOYSA-N
XLogP10.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.91
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene?
The IUPAC name of 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene (CID 10919641) is 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene.
What is the SMILES notation for 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene?
The canonical SMILES for 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene is c1cc2cc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COC2.
What is the InChIKey of 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene?
The InChIKey is QGUOFWVBDWQHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48O6/c1-7-37-19-38(8-1)26-50-28-40-10-3-12-42(21-40)30-52-32-44-14-5-16-46(23-44)34-54-36-48-18-6-17-47(24-48)35-53-33-45-15-4-13-43(22-45)31-51-29-41-11-2-9-39(20-41)27-49-25-37/h1-24H,25-36H2.
What are the key properties of 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene?
3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene has a molecular weight of 720.91 g/mol, XLogP of 10.30, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11,19,27,35,43-hexaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-1(49),5(54),6,8,13(53),14,16,21(52),22,24,29,31,33(51),37,39,41(50),45,47-octadecaene is sourced from PubChem (CID 10919641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).