phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

C43H62O6Si — CID 141423919

About phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (PubChem CID 141423919) has the molecular formula C43H62O6Si and a molecular weight of 703.05 g/mol. Its IUPAC name is phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

Molecular Properties

• Compound Name: phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• PubChem CID: 141423919
• Molecular Formula: C43H62O6Si
• Molecular Weight: 703.05 g/mol
• Exact Mass: 702.43
• IUPAC Name: phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• SMILES: C[C@H](CCC(=O)OCOCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](OCOCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C43H62O6Si/c1-31(17-20-40(44)48-30-46-28-33-15-11-8-12-16-33)36-18-19-37-41-38(22-24-43(36,37)3)42(2)23-21-35(25-34(42)26-39(41)49-50(4,5)6)47-29-45-27-32-13-9-7-10-14-32/h7-16,26,31,34-38,41H,17-25,27-30H2,1-6H3/t31-,34+,35-,36-,37+,38+,41+,42+,43-/m1/s1
• InChIKey: BZBZDOGQNPZLPW-NASQDJJLSA-N
• XLogP: 10.29
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.05
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The IUPAC name of phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CID 141423919) is phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

What is the SMILES notation for phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The canonical SMILES for phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is C[C@H](CCC(=O)OCOCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](OCOCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The InChIKey is BZBZDOGQNPZLPW-NASQDJJLSA-N. The full InChI is InChI=1S/C43H62O6Si/c1-31(17-20-40(44)48-30-46-28-33-15-11-8-12-16-33)36-18-19-37-41-38(22-24-43(36,37)3)42(2)23-21-35(25-34(42)26-39(41)49-50(4,5)6)47-29-45-27-32-13-9-7-10-14-32/h7-16,26,31,34-38,41H,17-25,27-30H2,1-6H3/t31-,34+,35-,36-,37+,38+,41+,42+,43-/m1/s1.

What are the key properties of phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate has a molecular weight of 703.05 g/mol, XLogP of 10.29, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for phenylmethoxymethyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylmethoxymethoxy)-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is sourced from PubChem (CID 141423919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).