(1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

C24H44O2Si — CID 57217916

IUPAC(1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SMILESC=C(C)C[C@H](CC(C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2Si/c1-17(2)15-19(26-27(8,9)23(4,5)6)16-18(3)20-12-13-21-22(25)11-10-14-24(20,21)7/h18-21H,1,10-16H2,2-9H3/t18?,19-,20-,21+,24-/m1/s1
InChIKeyOAMHGBNHAUNZHS-GZDUKOEUSA-N
MW392.70 g/mol
LogP7.15
Rot. Bonds7

About (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

(1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (PubChem CID 57217916) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.

Molecular Properties

Compound Name(1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
PubChem CID57217916
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Name(1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SMILESC=C(C)C[C@H](CC(C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2Si/c1-17(2)15-19(26-27(8,9)23(4,5)6)16-18(3)20-12-13-21-22(25)11-10-14-24(20,21)7/h18-21H,1,10-16H2,2-9H3/t18?,19-,20-,21+,24-/m1/s1
InChIKeyOAMHGBNHAUNZHS-GZDUKOEUSA-N
XLogP7.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-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,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The IUPAC name of (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (CID 57217916) is (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.
What is the SMILES notation for (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The canonical SMILES for (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is C=C(C)C[C@H](CC(C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The InChIKey is OAMHGBNHAUNZHS-GZDUKOEUSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-17(2)15-19(26-27(8,9)23(4,5)6)16-18(3)20-12-13-21-22(25)11-10-14-24(20,21)7/h18-21H,1,10-16H2,2-9H3/t18?,19-,20-,21+,24-/m1/s1.
What are the key properties of (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
(1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one has a molecular weight of 392.70 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is sourced from PubChem (CID 57217916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).