1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane

C72H134Ga2O24Si14 — CID 134998645

IUPAC1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane
SMILESC[Ga]1O[Si]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O[Ga](C)O[Si]5(C6CCCC6)O[Si]6(C7CCCC7)O[Si](O)(C7CCCC7)O[Si]7(C8CCCC8)O[Si](C8CCCC8)(O1)O[Si](C1CCCC1)(O5)O[Si](C1CCCC1)(O7)O6)O[Si](C1CCCC1)(O2)O[Si](C1CCCC1)(O3)O4
InChIInChI=1S/2C35H64O12Si7.2CH3.2Ga/c2*36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35;;;;/h2*29-36H,1-28H2;2*1H3;;/q2*-2;;;2*+2
InChIKeyZGKBQQXOKFCNJB-UHFFFAOYSA-N
MW1916.49 g/mol
LogP19.03
Rot. Bonds14

About 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane

1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane (PubChem CID 134998645) has the molecular formula C72H134Ga2O24Si14 and a molecular weight of 1916.49 g/mol. Its IUPAC name is 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane.

Molecular Properties

Compound Name1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane
PubChem CID134998645
Molecular FormulaC72H134Ga2O24Si14
Molecular Weight1916.49 g/mol
Exact Mass1912.45
IUPAC Name1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane
SMILESC[Ga]1O[Si]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O[Ga](C)O[Si]5(C6CCCC6)O[Si]6(C7CCCC7)O[Si](O)(C7CCCC7)O[Si]7(C8CCCC8)O[Si](C8CCCC8)(O1)O[Si](C1CCCC1)(O5)O[Si](C1CCCC1)(O7)O6)O[Si](C1CCCC1)(O2)O[Si](C1CCCC1)(O3)O4
InChIInChI=1S/2C35H64O12Si7.2CH3.2Ga/c2*36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35;;;;/h2*29-36H,1-28H2;2*1H3;;/q2*-2;;;2*+2
InChIKeyZGKBQQXOKFCNJB-UHFFFAOYSA-N
XLogP19.03
TPSA243.52 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.49
LogP ≤ 519.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane?
The IUPAC name of 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane (CID 134998645) is 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane.
What is the SMILES notation for 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane?
The canonical SMILES for 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane is C[Ga]1O[Si]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O[Ga](C)O[Si]5(C6CCCC6)O[Si]6(C7CCCC7)O[Si](O)(C7CCCC7)O[Si]7(C8CCCC8)O[Si](C8CCCC8)(O1)O[Si](C1CCCC1)(O5)O[Si](C1CCCC1)(O7)O6)O[Si](C1CCCC1)(O2)O[Si](C1CCCC1)(O3)O4.
What is the InChIKey of 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane?
The InChIKey is ZGKBQQXOKFCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H64O12Si7.2CH3.2Ga/c2*36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35;;;;/h2*29-36H,1-28H2;2*1H3;;/q2*-2;;;2*+2.
What are the key properties of 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane?
1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane has a molecular weight of 1916.49 g/mol, XLogP of 19.03, 14 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecacyclopentyl-15,27-dihydroxy-5,21-dimethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38-docosaoxa-1,3,7,9,11,13,15,17,19,23,25,27,29,31-tetradecasila-5,21-digallaheptacyclo[21.9.1.13,29.17,13.19,19.111,17.125,31]octatriacontane is sourced from PubChem (CID 134998645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).