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

C33H64O4Si3 — CID 78409618

IUPACtrimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SMILESCC(CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
InChIInChI=1S/C33H64O4Si3/c1-23(13-18-31(34)37-40(10,11)12)27-16-17-28-26-15-14-24-21-25(35-38(4,5)6)19-20-32(24,2)29(26)22-30(33(27,28)3)36-39(7,8)9/h23-30H,13-22H2,1-12H3
InChIKeyGUYGBOQSRRUZIK-UHFFFAOYSA-N
MW609.13 g/mol
LogP9.49
Rot. Bonds9

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

trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (PubChem CID 78409618) has the molecular formula C33H64O4Si3 and a molecular weight of 609.13 g/mol. Its IUPAC name is trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
PubChem CID78409618
Molecular FormulaC33H64O4Si3
Molecular Weight609.13 g/mol
Exact Mass608.41
IUPAC Nametrimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SMILESCC(CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
InChIInChI=1S/C33H64O4Si3/c1-23(13-18-31(34)37-40(10,11)12)27-16-17-28-26-15-14-24-21-25(35-38(4,5)6)19-20-32(24,2)29(26)22-30(33(27,28)3)36-39(7,8)9/h23-30H,13-22H2,1-12H3
InChIKeyGUYGBOQSRRUZIK-UHFFFAOYSA-N
XLogP9.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.13
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
The IUPAC name of trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CID 78409618) is trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
What is the SMILES notation for trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
The canonical SMILES for trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is CC(CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C.
What is the InChIKey of trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
The InChIKey is GUYGBOQSRRUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O4Si3/c1-23(13-18-31(34)37-40(10,11)12)27-16-17-28-26-15-14-24-21-25(35-38(4,5)6)19-20-32(24,2)29(26)22-30(33(27,28)3)36-39(7,8)9/h23-30H,13-22H2,1-12H3.
What are the key properties of trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate has a molecular weight of 609.13 g/mol, XLogP of 9.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[10,13-dimethyl-3,12-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is sourced from PubChem (CID 78409618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).