(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol

C16H30O2Si — CID 46188091

IUPAC(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol
SMILESC=C1CC[C@H]2[C@@H]1[C@@H](O)CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-11-7-8-12-14(10-9-13(17)15(11)12)18-19(5,6)16(2,3)4/h12-15,17H,1,7-10H2,2-6H3/t12-,13+,14+,15-/m1/s1
InChIKeyJIWMCEOMBQVMOF-CBBWQLFWSA-N
MW282.50 g/mol
LogP4.11
Rot. Bonds2

About (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol

(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol (PubChem CID 46188091) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol.

Molecular Properties

Compound Name(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol
PubChem CID46188091
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol
SMILESC=C1CC[C@H]2[C@@H]1[C@@H](O)CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-11-7-8-12-14(10-9-13(17)15(11)12)18-19(5,6)16(2,3)4/h12-15,17H,1,7-10H2,2-6H3/t12-,13+,14+,15-/m1/s1
InChIKeyJIWMCEOMBQVMOF-CBBWQLFWSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]but-3-en-1-ol
CID 162418352
3-[(1R,3aR,4S,7aR)-4-(tert-butyl-dimethyl-silanyloxy)-7a-methyl-octahydro-inden-1-yl]-but-3-en-1-ol
CID 12990845
octahydro-1-[3-((1,1-dimethylethyl)-dimethylsilyloxy)-1,5-dimethyl-5-hexenyl)-7a-methyl-1H-inden-4-ol
CID 13687598
2-[4-[Tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]prop-2-en-1-ol
CID 21462503
2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]prop-2-en-1-ol
CID 22868122
2-[(1S,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]prop-2-en-1-ol
CID 22868134
(7R)-2-hydroxymethyl-4-(t-butyldimethylsilyloxy)-7-[(1R, 7aR)-octahydro-4-trimethylsilyloxy-7a-methyl-1H-inden-1-yl]-octene
CID 57153383
(1R,3aR,4R,7aR)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 57225938
(1R,3aR,4R,7aR)-1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 57298743
3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]but-3-en-1-ol
CID 57655732
3-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]but-3-en-1-ol
CID 57655756
(S)-4-((3S,3aS,7S,7aR)-octahydro-7-(tert-butyldimethylsilyloxy)-3a-methyl-1H-inden-3-yl)-2-methylenepentane-1,4-diol
CID 57696848

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol?
The IUPAC name of (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol (CID 46188091) is (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol.
What is the SMILES notation for (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol?
The canonical SMILES for (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol is C=C1CC[C@H]2[C@@H]1[C@@H](O)CC[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol?
The InChIKey is JIWMCEOMBQVMOF-CBBWQLFWSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11-7-8-12-14(10-9-13(17)15(11)12)18-19(5,6)16(2,3)4/h12-15,17H,1,7-10H2,2-6H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol?
(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol has a molecular weight of 282.50 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-4-ol is sourced from PubChem (CID 46188091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).