5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane

C56H98O14 — CID 20767618

IUPAC5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
SMILESCC1OC2OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7C(C)OC(OC8C(C)OC(OC1C(C)C2C)C(C)C8C)C(C)C7C)C(C)C6C)C(C)C5C)C(C)C4C)C(C)C3C
InChIInChI=1S/C56H98O14/c1-22-29(8)50-57-36(15)43(22)64-51-30(9)23(2)45(38(17)58-51)66-53-32(11)25(4)47(40(19)60-53)68-55-34(13)27(6)49(42(21)62-55)70-56-35(14)28(7)48(41(20)63-56)69-54-33(12)26(5)46(39(18)61-54)67-52-31(10)24(3)44(65-50)37(16)59-52/h22-56H,1-21H3
InChIKeyCWYZFIOOJSYOIX-UHFFFAOYSA-N
MW995.39 g/mol
LogP9.82
Rot. Bonds

About 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane

5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane (PubChem CID 20767618) has the molecular formula C56H98O14 and a molecular weight of 995.39 g/mol. Its IUPAC name is 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane.

Molecular Properties

Compound Name5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
PubChem CID20767618
Molecular FormulaC56H98O14
Molecular Weight995.39 g/mol
Exact Mass994.70
IUPAC Name5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
SMILESCC1OC2OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7C(C)OC(OC8C(C)OC(OC1C(C)C2C)C(C)C8C)C(C)C7C)C(C)C6C)C(C)C5C)C(C)C4C)C(C)C3C
InChIInChI=1S/C56H98O14/c1-22-29(8)50-57-36(15)43(22)64-51-30(9)23(2)45(38(17)58-51)66-53-32(11)25(4)47(40(19)60-53)68-55-34(13)27(6)49(42(21)62-55)70-56-35(14)28(7)48(41(20)63-56)69-54-33(12)26(5)46(39(18)61-54)67-52-31(10)24(3)44(65-50)37(16)59-52/h22-56H,1-21H3
InChIKeyCWYZFIOOJSYOIX-UHFFFAOYSA-N
XLogP9.82
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.39
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane?
The IUPAC name of 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane (CID 20767618) is 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane.
What is the SMILES notation for 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane?
The canonical SMILES for 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane is CC1OC2OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7C(C)OC(OC8C(C)OC(OC1C(C)C2C)C(C)C8C)C(C)C7C)C(C)C6C)C(C)C5C)C(C)C4C)C(C)C3C.
What is the InChIKey of 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane?
The InChIKey is CWYZFIOOJSYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H98O14/c1-22-29(8)50-57-36(15)43(22)64-51-30(9)23(2)45(38(17)58-51)66-53-32(11)25(4)47(40(19)60-53)68-55-34(13)27(6)49(42(21)62-55)70-56-35(14)28(7)48(41(20)63-56)69-54-33(12)26(5)46(39(18)61-54)67-52-31(10)24(3)44(65-50)37(16)59-52/h22-56H,1-21H3.
What are the key properties of 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane?
5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane has a molecular weight of 995.39 g/mol, XLogP of 9.82, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane is sourced from PubChem (CID 20767618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).