4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol

C34H60O3Si2 — CID 10816933

About 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol

4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol (PubChem CID 10816933) has the molecular formula C34H60O3Si2 and a molecular weight of 573.02 g/mol. Its IUPAC name is 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol.

Molecular Properties

• Compound Name: 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol
• PubChem CID: 10816933
• Molecular Formula: C34H60O3Si2
• Molecular Weight: 573.02 g/mol
• Exact Mass: 572.41
• IUPAC Name: 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](CCCCO)C[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12
• InChI: InChI=1S/C34H60O3Si2/c1-32(2,3)38(8,9)36-26-16-18-27-24(22-26)15-17-28-29-19-20-30(37-39(10,11)33(4,5)6)34(29,7)23-25(31(27)28)14-12-13-21-35/h16,18,22,25,28-31,35H,12-15,17,19-21,23H2,1-11H3/t25-,28-,29-,30-,31+,34-/m0/s1
• InChIKey: FKPNXGGKULCBHV-ZRCUXOMGSA-N
• XLogP: 9.71
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.02
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol?

The IUPAC name of 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol (CID 10816933) is 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol.

What is the SMILES notation for 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol?

The canonical SMILES for 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](CCCCO)C[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12.

What is the InChIKey of 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol?

The InChIKey is FKPNXGGKULCBHV-ZRCUXOMGSA-N. The full InChI is InChI=1S/C34H60O3Si2/c1-32(2,3)38(8,9)36-26-16-18-27-24(22-26)15-17-28-29-19-20-30(37-39(10,11)33(4,5)6)34(29,7)23-25(31(27)28)14-12-13-21-35/h16,18,22,25,28-31,35H,12-15,17,19-21,23H2,1-11H3/t25-,28-,29-,30-,31+,34-/m0/s1.

What are the key properties of 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol?

4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol has a molecular weight of 573.02 g/mol, XLogP of 9.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(8S,9S,11S,13S,14S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]butan-1-ol is sourced from PubChem (CID 10816933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).