35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol

C56H98O32 — CID 135136209

About 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol

35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol (PubChem CID 135136209) has the molecular formula C56H98O32 and a molecular weight of 1283.37 g/mol. Its IUPAC name is 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol.

Molecular Properties

• Compound Name: 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol
• PubChem CID: 135136209
• Molecular Formula: C56H98O32
• Molecular Weight: 1283.37 g/mol
• Exact Mass: 1282.60
• IUPAC Name: 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol
• SMILES: CCCC1OOC(CC)C(C(O)C(C)O)OC2OC(CC)C(OC3OC(CC)C(OC4OC(CC)C(OC5OC(CC)C(OC6OC(CC)C(OC7OC(CC)C(OC(O)C(O)=C1O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
• InChI: InChI=1S/C56H98O32/c1-10-18-27-29(59)36(66)50(73)80-43-20(11-2)74-51(37(67)30(43)60)81-44-21(12-3)75-52(38(68)31(44)61)82-45-22(13-4)76-53(39(69)32(45)62)83-46-23(14-5)77-54(40(70)33(46)63)84-47-24(15-6)78-55(41(71)34(47)64)85-48-25(16-7)79-56(42(72)35(48)65)86-49(28(58)19(9)57)26(17-8)87-88-27/h19-28,30-35,37-73H,10-18H2,1-9H3
• InChIKey: SMZBUBCZLPEZEW-UHFFFAOYSA-N
• XLogP: -3.88
• TPSA: 482.36 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1283.37
LogP ≤ 5	-3.88
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol?

The IUPAC name of 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol (CID 135136209) is 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol.

What is the SMILES notation for 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol?

The canonical SMILES for 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol is CCCC1OOC(CC)C(C(O)C(C)O)OC2OC(CC)C(OC3OC(CC)C(OC4OC(CC)C(OC5OC(CC)C(OC6OC(CC)C(OC7OC(CC)C(OC(O)C(O)=C1O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O.

What is the InChIKey of 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol?

The InChIKey is SMZBUBCZLPEZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H98O32/c1-10-18-27-29(59)36(66)50(73)80-43-20(11-2)74-51(37(67)30(43)60)81-44-21(12-3)75-52(38(68)31(44)61)82-45-22(13-4)76-53(39(69)32(45)62)83-46-23(14-5)77-54(40(70)33(46)63)84-47-24(15-6)78-55(41(71)34(47)64)85-48-25(16-7)79-56(42(72)35(48)65)86-49(28(58)19(9)57)26(17-8)87-88-27/h19-28,30-35,37-73H,10-18H2,1-9H3.

What are the key properties of 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol?

35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol has a molecular weight of 1283.37 g/mol, XLogP of -3.88, 11 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 35-(1,2-dihydroxypropyl)-5,10,15,20,25,34,39-heptaethyl-31-propyl-2,4,7,9,12,14,17,19,22,24,27,32,33,36,38-pentadecaoxaheptacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26]henpentacont-29-ene-28,29,30,40,41,42,43,44,45,46,47,48,49,50,51-pentadecol is sourced from PubChem (CID 135136209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).