(1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

C30H55F3O3Si2 — CID 59238363

IUPAC(1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SMILESCC(C)(CCC[C@](C)(C/C=C\C(C)(O[Si](C)(C)C)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C
InChIInChI=1S/C30H55F3O3Si2/c1-26(2,35-37(6,7)8)18-13-19-27(3,25-17-16-23-24(34)15-12-21-28(23,25)4)20-14-22-29(5,30(31,32)33)36-38(9,10)11/h14,22-23,25H,12-13,15-21H2,1-11H3/b22-14-/t23?,25-,27-,28+,29?/m1/s1
InChIKeyOZRZOFDOFXQNGD-CFPGFWBHSA-N
MW576.93 g/mol
LogP9.70
Rot. Bonds12

About (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

(1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (PubChem CID 59238363) has the molecular formula C30H55F3O3Si2 and a molecular weight of 576.93 g/mol. Its IUPAC name is (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.

Molecular Properties

Compound Name(1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
PubChem CID59238363
Molecular FormulaC30H55F3O3Si2
Molecular Weight576.93 g/mol
Exact Mass576.36
IUPAC Name(1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SMILESCC(C)(CCC[C@](C)(C/C=C\C(C)(O[Si](C)(C)C)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C
InChIInChI=1S/C30H55F3O3Si2/c1-26(2,35-37(6,7)8)18-13-19-27(3,25-17-16-23-24(34)15-12-21-28(23,25)4)20-14-22-29(5,30(31,32)33)36-38(9,10)11/h14,22-23,25H,12-13,15-21H2,1-11H3/b22-14-/t23?,25-,27-,28+,29?/m1/s1
InChIKeyOZRZOFDOFXQNGD-CFPGFWBHSA-N
XLogP9.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.93
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The IUPAC name of (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (CID 59238363) is (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.
What is the SMILES notation for (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The canonical SMILES for (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is CC(C)(CCC[C@](C)(C/C=C\C(C)(O[Si](C)(C)C)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.
What is the InChIKey of (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The InChIKey is OZRZOFDOFXQNGD-CFPGFWBHSA-N. The full InChI is InChI=1S/C30H55F3O3Si2/c1-26(2,35-37(6,7)8)18-13-19-27(3,25-17-16-23-24(34)15-12-21-28(23,25)4)20-14-22-29(5,30(31,32)33)36-38(9,10)11/h14,22-23,25H,12-13,15-21H2,1-11H3/b22-14-/t23?,25-,27-,28+,29?/m1/s1.
What are the key properties of (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
(1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one has a molecular weight of 576.93 g/mol, XLogP of 9.70, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is sourced from PubChem (CID 59238363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).