(7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

C52H96O8Si2 — CID 158734360

About (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

(7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (PubChem CID 158734360) has the molecular formula C52H96O8Si2 and a molecular weight of 905.50 g/mol. Its IUPAC name is (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.

Molecular Properties

• Compound Name: (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
• PubChem CID: 158734360
• Molecular Formula: C52H96O8Si2
• Molecular Weight: 905.50 g/mol
• Exact Mass: 904.66
• IUPAC Name: (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
• SMILES: CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(O)CCC[C@@H](CCC(=O)C(C)(C)O)C1CCC2C(=O)CCC[C@@]21C
• InChI: InChI=1S/C29H56O4Si2.C23H40O4/c1-27(2,32-34(6,7)8)20-12-14-22(16-19-26(31)28(3,4)33-35(9,10)11)23-17-18-24-25(30)15-13-21-29(23,24)5;1-21(2,26)14-6-8-16(10-13-20(25)22(3,4)27)17-11-12-18-19(24)9-7-15-23(17,18)5/h22-24H,12-21H2,1-11H3;16-18,26-27H,6-15H2,1-5H3/t22-,23?,24?,29+;16-,17?,18?,23+/m00/s1
• InChIKey: ILMKIYXTGQPHTF-KEHQHAGFSA-N
• XLogP: 12.62
• TPSA: 127.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.50
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?

The IUPAC name of (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (CID 158734360) is (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.

What is the SMILES notation for (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?

The canonical SMILES for (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(O)CCC[C@@H](CCC(=O)C(C)(C)O)C1CCC2C(=O)CCC[C@@]21C.

What is the InChIKey of (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?

The InChIKey is ILMKIYXTGQPHTF-KEHQHAGFSA-N. The full InChI is InChI=1S/C29H56O4Si2.C23H40O4/c1-27(2,32-34(6,7)8)20-12-14-22(16-19-26(31)28(3,4)33-35(9,10)11)23-17-18-24-25(30)15-13-21-29(23,24)5;1-21(2,26)14-6-8-16(10-13-20(25)22(3,4)27)17-11-12-18-19(24)9-7-15-23(17,18)5/h22-24H,12-21H2,1-11H3;16-18,26-27H,6-15H2,1-5H3/t22-,23?,24?,29+;16-,17?,18?,23+/m00/s1.

What are the key properties of (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?

(7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one has a molecular weight of 905.50 g/mol, XLogP of 12.62, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7aR)-1-[(6S)-2,10-dihydroxy-2,10-dimethyl-3-oxoundecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is sourced from PubChem (CID 158734360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).