[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane

C60H76O4Si2 — CID 102174225

IUPAC[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane
SMILESCCCOc1c2cccc1Cc1cc([Si](C)(C)CCc3ccccc3)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc([Si](C)(C)CCc3ccccc3)cc(c1OCCC)C2
InChIInChI=1S/C60H76O4Si2/c1-9-31-61-57-47-25-19-26-48(57)38-52-42-56(66(7,8)36-30-46-23-17-14-18-24-46)44-54(60(52)64-34-12-4)40-50-28-20-27-49(58(50)62-32-10-2)39-53-43-55(41-51(37-47)59(53)63-33-11-3)65(5,6)35-29-45-21-15-13-16-22-45/h13-28,41-44H,9-12,29-40H2,1-8H3
InChIKeyBNEQXPPRSKSFLX-UHFFFAOYSA-N
MW917.44 g/mol
LogP13.83
Rot. Bonds20

About [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane

[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane (PubChem CID 102174225) has the molecular formula C60H76O4Si2 and a molecular weight of 917.44 g/mol. Its IUPAC name is [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane.

Molecular Properties

Compound Name[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane
PubChem CID102174225
Molecular FormulaC60H76O4Si2
Molecular Weight917.44 g/mol
Exact Mass916.53
IUPAC Name[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane
SMILESCCCOc1c2cccc1Cc1cc([Si](C)(C)CCc3ccccc3)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc([Si](C)(C)CCc3ccccc3)cc(c1OCCC)C2
InChIInChI=1S/C60H76O4Si2/c1-9-31-61-57-47-25-19-26-48(57)38-52-42-56(66(7,8)36-30-46-23-17-14-18-24-46)44-54(60(52)64-34-12-4)40-50-28-20-27-49(58(50)62-32-10-2)39-53-43-55(41-51(37-47)59(53)63-33-11-3)65(5,6)35-29-45-21-15-13-16-22-45/h13-28,41-44H,9-12,29-40H2,1-8H3
InChIKeyBNEQXPPRSKSFLX-UHFFFAOYSA-N
XLogP13.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.44
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane with MolForge

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Related Compounds

5,11-dibromo-25,26-bis(phenylmethoxy)-27,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 10963953
(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methanol
CID 101010259
diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
CID 15523207
5,11-bis[(E)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 50923338
5-[(Z)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101411586
1-phenyl-3-[[17-[(phenylcarbamoylamino)methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]urea
CID 15784518
1-phenyl-3-[(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methyl]urea
CID 102250772
5,17-diisocyano-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
CID 101365936
25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carbonitrile
CID 132525726
25,27-bis(2-anthracen-9-yloxyethoxy)-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102427600
[17-(hydroxymethyl)-11-methyl-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]methanol
CID 101368812
dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane
CID 102517614

Frequently Asked Questions

What is the IUPAC name of [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane?
The IUPAC name of [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane (CID 102174225) is [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane.
What is the SMILES notation for [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane?
The canonical SMILES for [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane is CCCOc1c2cccc1Cc1cc([Si](C)(C)CCc3ccccc3)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc([Si](C)(C)CCc3ccccc3)cc(c1OCCC)C2.
What is the InChIKey of [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane?
The InChIKey is BNEQXPPRSKSFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H76O4Si2/c1-9-31-61-57-47-25-19-26-48(57)38-52-42-56(66(7,8)36-30-46-23-17-14-18-24-46)44-54(60(52)64-34-12-4)40-50-28-20-27-49(58(50)62-32-10-2)39-53-43-55(41-51(37-47)59(53)63-33-11-3)65(5,6)35-29-45-21-15-13-16-22-45/h13-28,41-44H,9-12,29-40H2,1-8H3.
What are the key properties of [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane?
[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane has a molecular weight of 917.44 g/mol, XLogP of 13.83, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane is sourced from PubChem (CID 102174225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).