30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene

C101H106O6 — CID 89408227

About 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene

30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene (PubChem CID 89408227) has the molecular formula C101H106O6 and a molecular weight of 1415.95 g/mol. Its IUPAC name is 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene.

Molecular Properties

• Compound Name: 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene
• PubChem CID: 89408227
• Molecular Formula: C101H106O6
• Molecular Weight: 1415.95 g/mol
• Exact Mass: 1414.80
• IUPAC Name: 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene
• SMILES: COCOC12CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(OCOC)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C1(C)CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(C)CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2cc1
• InChI: InChI=1S/C101H106O6/c1-94-53-57-96(3,58-54-94)88-41-25-80(26-42-88)81-27-43-89(44-28-81)97(4)59-55-95(2,56-60-97)87-39-23-79(24-40-87)75-17-19-77(20-18-75)84-33-49-92(50-34-84)100(106-70-103-7)65-67-101(68-66-100,107-71-104-8)93-51-35-85(36-52-93)82-29-45-90(46-30-82)98(5)61-63-99(64-62-98,105-69-102-6)91-47-31-83(32-48-91)76-15-11-73(12-16-76)72-9-13-74(14-10-72)78-21-37-86(94)38-22-78/h9-52H,53-71H2,1-8H3
• InChIKey: HSRUVTAPGGHKOP-UHFFFAOYSA-N
• XLogP: 25.50
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1415.95
LogP ≤ 5	25.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene?

The IUPAC name of 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene (CID 89408227) is 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene.

What is the SMILES notation for 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene?

The canonical SMILES for 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene is COCOC12CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(OCOC)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C1(C)CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(C)CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2cc1.

What is the InChIKey of 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene?

The InChIKey is HSRUVTAPGGHKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H106O6/c1-94-53-57-96(3,58-54-94)88-41-25-80(26-42-88)81-27-43-89(44-28-81)97(4)59-55-95(2,56-60-97)87-39-23-79(24-40-87)75-17-19-77(20-18-75)84-33-49-92(50-34-84)100(106-70-103-7)65-67-101(68-66-100,107-71-104-8)93-51-35-85(36-52-93)82-29-45-90(46-30-82)98(5)61-63-99(64-62-98,105-69-102-6)91-47-31-83(32-48-91)76-15-11-73(12-16-76)72-9-13-74(14-10-72)78-21-37-86(94)38-22-78/h9-52H,53-71H2,1-8H3.

What are the key properties of 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene?

30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene has a molecular weight of 1415.95 g/mol, XLogP of 25.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene is sourced from PubChem (CID 89408227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).