[10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol

C127H152O27 — CID 89410753

IUPAC[10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol
SMILESCCC1OC2OC3C(CO)OC(OC4C(COCc5ccccc5)OC(OC5C(COCc6ccccc6)OC(OC6C(CO)OC(OC7C(CC)OC(OC8C(CC)OC(OC1C(C)C2OCc1ccccc1)C(OCc1ccccc1)C8OCc1ccccc1)C(OCc1ccccc1)C7OCc1ccccc1)C(OCc1ccccc1)C6OCc1ccccc1)C(C)C5OCc1ccccc1)C(C)C4C)C(OCc1ccccc1)C3C
InChIInChI=1S/C127H152O27/c1-9-98-106-84(6)109(133-72-90-51-29-15-30-52-90)123(141-98)150-107-85(7)110(134-73-91-53-31-16-32-54-91)124(144-101(107)67-128)148-105-82(4)83(5)121(146-103(105)80-130-69-87-45-23-12-24-46-87)152-114-104(81-131-70-88-47-25-13-26-48-88)147-122(86(8)108(114)132-71-89-49-27-14-28-50-89)151-113-102(68-129)145-127(120(140-79-97-65-43-22-44-66-97)117(113)137-76-94-59-37-19-38-60-94)154-112-100(11-3)143-126(119(139-78-96-63-41-21-42-64-96)116(112)136-75-93-57-35-18-36-58-93)153-111-99(10-2)142-125(149-106)118(138-77-95-61-39-20-40-62-95)115(111)135-74-92-55-33-17-34-56-92/h12-66,82-86,98-129H,9-11,67-81H2,1-8H3
InChIKeyUKTSKPBEIAUMKH-UHFFFAOYSA-N
MW2110.59 g/mol
LogP19.87
Rot. Bonds40

About [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol

[10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol (PubChem CID 89410753) has the molecular formula C127H152O27 and a molecular weight of 2110.59 g/mol. Its IUPAC name is [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol.

Molecular Properties

Compound Name[10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol
PubChem CID89410753
Molecular FormulaC127H152O27
Molecular Weight2110.59 g/mol
Exact Mass2109.05
IUPAC Name[10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol
SMILESCCC1OC2OC3C(CO)OC(OC4C(COCc5ccccc5)OC(OC5C(COCc6ccccc6)OC(OC6C(CO)OC(OC7C(CC)OC(OC8C(CC)OC(OC1C(C)C2OCc1ccccc1)C(OCc1ccccc1)C8OCc1ccccc1)C(OCc1ccccc1)C7OCc1ccccc1)C(OCc1ccccc1)C6OCc1ccccc1)C(C)C5OCc1ccccc1)C(C)C4C)C(OCc1ccccc1)C3C
InChIInChI=1S/C127H152O27/c1-9-98-106-84(6)109(133-72-90-51-29-15-30-52-90)123(141-98)150-107-85(7)110(134-73-91-53-31-16-32-54-91)124(144-101(107)67-128)148-105-82(4)83(5)121(146-103(105)80-130-69-87-45-23-12-24-46-87)152-114-104(81-131-70-88-47-25-13-26-48-88)147-122(86(8)108(114)132-71-89-49-27-14-28-50-89)151-113-102(68-129)145-127(120(140-79-97-65-43-22-44-66-97)117(113)137-76-94-59-37-19-38-60-94)154-112-100(11-3)143-126(119(139-78-96-63-41-21-42-64-96)116(112)136-75-93-57-35-18-36-58-93)153-111-99(10-2)142-125(149-106)118(138-77-95-61-39-20-40-62-95)115(111)135-74-92-55-33-17-34-56-92/h12-66,82-86,98-129H,9-11,67-81H2,1-8H3
InChIKeyUKTSKPBEIAUMKH-UHFFFAOYSA-N
XLogP19.87
TPSA271.21 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.59
LogP ≤ 519.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol with MolForge

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Related Compounds

[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10,30-bis(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-15,20,25,35-tetrakis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol
CID 44606507
[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-10,15,20,25,30-pentakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methanol
CID 102344761
[20-(aminomethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,25,30,35-pentakis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanamine
CID 59226777
3-[[20-(3-hydroxypropoxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,25,30,35-pentakis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methoxy]propan-1-ol
CID 89410759
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20,25-bis(acetyloxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,30,35-tetrakis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methyl acetate
CID 44606511
2-[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20-(2-aminoethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,25,30,35-pentakis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]ethanamine
CID 46866990
31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane
CID 177416908
(1R,3R,5R,6R,8R,10R,11R,13S,15S,16S,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-5,10,20,25,30,35-hexakis(phenylmethoxymethyl)-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-15-carbaldehyde
CID 140537294
21,22,23,25,26,27-hexakis(phenylmethoxy)-5,10,15,20-tetrakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19-octaoxapentacyclo[16.2.2.23,6.28,11.213,16]octacosane
CID 177447202
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682

Frequently Asked Questions

What is the IUPAC name of [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol?
The IUPAC name of [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol (CID 89410753) is [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol.
What is the SMILES notation for [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol?
The canonical SMILES for [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol is CCC1OC2OC3C(CO)OC(OC4C(COCc5ccccc5)OC(OC5C(COCc6ccccc6)OC(OC6C(CO)OC(OC7C(CC)OC(OC8C(CC)OC(OC1C(C)C2OCc1ccccc1)C(OCc1ccccc1)C8OCc1ccccc1)C(OCc1ccccc1)C7OCc1ccccc1)C(OCc1ccccc1)C6OCc1ccccc1)C(C)C5OCc1ccccc1)C(C)C4C)C(OCc1ccccc1)C3C.
What is the InChIKey of [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol?
The InChIKey is UKTSKPBEIAUMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H152O27/c1-9-98-106-84(6)109(133-72-90-51-29-15-30-52-90)123(141-98)150-107-85(7)110(134-73-91-53-31-16-32-54-91)124(144-101(107)67-128)148-105-82(4)83(5)121(146-103(105)80-130-69-87-45-23-12-24-46-87)152-114-104(81-131-70-88-47-25-13-26-48-88)147-122(86(8)108(114)132-71-89-49-27-14-28-50-89)151-113-102(68-129)145-127(120(140-79-97-65-43-22-44-66-97)117(113)137-76-94-59-37-19-38-60-94)154-112-100(11-3)143-126(119(139-78-96-63-41-21-42-64-96)116(112)136-75-93-57-35-18-36-58-93)153-111-99(10-2)142-125(149-106)118(138-77-95-61-39-20-40-62-95)115(111)135-74-92-55-33-17-34-56-92/h12-66,82-86,98-129H,9-11,67-81H2,1-8H3.
What are the key properties of [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol?
[10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol has a molecular weight of 2110.59 g/mol, XLogP of 19.87, 40 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [10,15,20-triethyl-25-(hydroxymethyl)-36,37,39,46,48-pentamethyl-38,40,41,42,43,44,45,47,49-nonakis(phenylmethoxy)-30,35-bis(phenylmethoxymethyl)-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]nonatetracontan-5-yl]methanol is sourced from PubChem (CID 89410753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).