(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol

C28H56O4Si2 — CID 11409672

IUPAC(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
SMILESCC1=C[C@@H]2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](O)[C@H]2[C@H](CO)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-17(2)34(18(3)4,19(5)6)32-27-21(8)26(30)25-22(27)14-20(7)24(23(25)15-29)16-31-33(12,13)28(9,10)11/h14,17-19,21-27,29-30H,15-16H2,1-13H3/t21-,22-,23+,24+,25+,26-,27+/m0/s1
InChIKeyJVQSWADLDYRLIN-UOCBTZAVSA-N
MW512.92 g/mol
LogP7.00
Rot. Bonds9

About (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol

(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol (PubChem CID 11409672) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
PubChem CID11409672
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Name(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
SMILESCC1=C[C@@H]2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](O)[C@H]2[C@H](CO)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-17(2)34(18(3)4,19(5)6)32-27-21(8)26(30)25-22(27)14-20(7)24(23(25)15-29)16-31-33(12,13)28(9,10)11/h14,17-19,21-27,29-30H,15-16H2,1-13H3/t21-,22-,23+,24+,25+,26-,27+/m0/s1
InChIKeyJVQSWADLDYRLIN-UOCBTZAVSA-N
XLogP7.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-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

(1R,2S,3R,3aS,4S,5R,7aR)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl]-3-hydroxy-2,6-dimethyl-1-tri(propan-2-yl)silyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbaldehyde
CID 102588850
methyl (1S,2S,3R,3aR,4R,5R,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
CID 101169063
methyl (1R,2S,3S,3aR,4R,5S,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethyl-1-triethylsilyloxy-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
CID 101392100
[(1R,2R,4aS,5R,8R,8aR)-3,8-dimethyl-2-(phenylmethoxymethyl)-5-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 101463190
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
methyl (1S,2R,4R,7R,8R,9S,10S,11R,12R,13S,16R,17S)-10-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-1,5,9,16-tetramethyl-8-tri(propan-2-yl)silyloxy-20-oxapentacyclo[13.4.1.02,13.04,12.07,11]icosa-5,14-diene-14-carboxylate
CID 42597492
(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 11033877
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
ethyl (1S,3aS,4S,5R,7aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenyl-6-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 102207175
(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol
CID 11255876
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
N-[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]-1,3,5-triazin-2-amine
CID 155663679

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol?
The IUPAC name of (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol (CID 11409672) is (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol is CC1=C[C@@H]2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](O)[C@H]2[C@H](CO)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol?
The InChIKey is JVQSWADLDYRLIN-UOCBTZAVSA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-17(2)34(18(3)4,19(5)6)32-27-21(8)26(30)25-22(27)14-20(7)24(23(25)15-29)16-31-33(12,13)28(9,10)11/h14,17-19,21-27,29-30H,15-16H2,1-13H3/t21-,22-,23+,24+,25+,26-,27+/m0/s1.
What are the key properties of (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol?
(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol has a molecular weight of 512.92 g/mol, XLogP of 7.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol is sourced from PubChem (CID 11409672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).