2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane

C120H270O15Si15 — CID 162516985

IUPAC2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane
SMILESCC(C)C[Si]1(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O1
InChIInChI=1S/C120H270O15Si15/c1-91(2)61-136(62-92(3)4)121-137(63-93(5)6,64-94(7)8)123-139(67-97(13)14,68-98(15)16)125-141(71-101(21)22,72-102(23)24)127-143(75-105(29)30,76-106(31)32)129-145(79-109(37)38,80-110(39)40)131-147(83-113(45)46,84-114(47)48)133-149(87-117(53)54,88-118(55)56)135-150(89-119(57)58,90-120(59)60)134-148(85-115(49)50,86-116(51)52)132-146(81-111(41)42,82-112(43)44)130-144(77-107(33)34,78-108(35)36)128-142(73-103(25)26,74-104(27)28)126-140(69-99(17)18,70-100(19)20)124-138(122-136,65-95(9)10)66-96(11)12/h91-120H,61-90H2,1-60H3
InChIKeyNYHWVYMITNCVGO-UHFFFAOYSA-N
MW2374.75 g/mol
LogP41.56
Rot. Bonds60

About 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane

2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane (PubChem CID 162516985) has the molecular formula C120H270O15Si15 and a molecular weight of 2374.75 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane
PubChem CID162516985
Molecular FormulaC120H270O15Si15
Molecular Weight2374.75 g/mol
Exact Mass2371.69
IUPAC Name2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane
SMILESCC(C)C[Si]1(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O1
InChIInChI=1S/C120H270O15Si15/c1-91(2)61-136(62-92(3)4)121-137(63-93(5)6,64-94(7)8)123-139(67-97(13)14,68-98(15)16)125-141(71-101(21)22,72-102(23)24)127-143(75-105(29)30,76-106(31)32)129-145(79-109(37)38,80-110(39)40)131-147(83-113(45)46,84-114(47)48)133-149(87-117(53)54,88-118(55)56)135-150(89-119(57)58,90-120(59)60)134-148(85-115(49)50,86-116(51)52)132-146(81-111(41)42,82-112(43)44)130-144(77-107(33)34,78-108(35)36)128-142(73-103(25)26,74-104(27)28)126-140(69-99(17)18,70-100(19)20)124-138(122-136,65-95(9)10)66-96(11)12/h91-120H,61-90H2,1-60H3
InChIKeyNYHWVYMITNCVGO-UHFFFAOYSA-N
XLogP41.56
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds60
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.75
LogP ≤ 541.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane (CID 162516985) is 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane is CC(C)C[Si]1(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane?
The InChIKey is NYHWVYMITNCVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H270O15Si15/c1-91(2)61-136(62-92(3)4)121-137(63-93(5)6,64-94(7)8)123-139(67-97(13)14,68-98(15)16)125-141(71-101(21)22,72-102(23)24)127-143(75-105(29)30,76-106(31)32)129-145(79-109(37)38,80-110(39)40)131-147(83-113(45)46,84-114(47)48)133-149(87-117(53)54,88-118(55)56)135-150(89-119(57)58,90-120(59)60)134-148(85-115(49)50,86-116(51)52)132-146(81-111(41)42,82-112(43)44)130-144(77-107(33)34,78-108(35)36)128-142(73-103(25)26,74-104(27)28)126-140(69-99(17)18,70-100(19)20)124-138(122-136,65-95(9)10)66-96(11)12/h91-120H,61-90H2,1-60H3.
What are the key properties of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane?
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane has a molecular weight of 2374.75 g/mol, XLogP of 41.56, 60 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30-triacontakis(2-methylpropyl)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecasilacyclotriacontane is sourced from PubChem (CID 162516985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).