[10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane

C42H88O5Si5 — CID 582875

About [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane

[10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane (PubChem CID 582875) has the molecular formula C42H88O5Si5 and a molecular weight of 813.59 g/mol. Its IUPAC name is [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane
• PubChem CID: 582875
• Molecular Formula: C42H88O5Si5
• Molecular Weight: 813.59 g/mol
• Exact Mass: 812.55
• IUPAC Name: [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane
• SMILES: CC(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
• InChI: InChI=1S/C42H88O5Si5/c1-30(21-24-37(45-50(12,13)14)40(2,3)47-52(18,19)20)33-22-23-34-39-35(29-38(42(33,34)5)46-51(15,16)17)41(4)26-25-32(43-48(6,7)8)27-31(41)28-36(39)44-49(9,10)11/h30-39H,21-29H2,1-20H3
• InChIKey: QOKBFGNTFZLJGF-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.59
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane?

The IUPAC name of [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane (CID 582875) is [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane.

What is the SMILES notation for [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane?

The canonical SMILES for [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane is CC(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C.

What is the InChIKey of [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane?

The InChIKey is QOKBFGNTFZLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H88O5Si5/c1-30(21-24-37(45-50(12,13)14)40(2,3)47-52(18,19)20)33-22-23-34-39-35(29-38(42(33,34)5)46-51(15,16)17)41(4)26-25-32(43-48(6,7)8)27-31(41)28-36(39)44-49(9,10)11/h30-39H,21-29H2,1-20H3.

What are the key properties of [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane?

[10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane has a molecular weight of 813.59 g/mol, XLogP of 12.79, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [10,13-dimethyl-17-[6-methyl-5,6-bis(trimethylsilyloxy)heptan-2-yl]-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane is sourced from PubChem (CID 582875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).