(1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol

C17H32O2Si — CID 10661663

IUPAC(1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=C[C@H]2[C@@H](CC1)CC[C@]2(C)O
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-12-13-7-8-14-9-10-17(4,18)15(14)11-13/h11,14-15,18H,7-10,12H2,1-6H3/t14-,15-,17-/m0/s1
InChIKeyYZADHZMCZSAKLX-ZOBUZTSGSA-N
MW296.53 g/mol
LogP4.51
Rot. Bonds3

About (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol

(1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol (PubChem CID 10661663) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol.

Molecular Properties

Compound Name(1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
PubChem CID10661663
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=C[C@H]2[C@@H](CC1)CC[C@]2(C)O
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-12-13-7-8-14-9-10-17(4,18)15(14)11-13/h11,14-15,18H,7-10,12H2,1-6H3/t14-,15-,17-/m0/s1
InChIKeyYZADHZMCZSAKLX-ZOBUZTSGSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.51
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'}

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Related Compounds

(1S,3aS,7aR)-6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
CID 10845151
(1R,3aS,7R,8S,8aS)-1-methyl-7-propan-2-yl-8-triethylsilyloxy-4-(trimethylsilylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol
CID 44521476
(1R,3aR,4S,5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 53349037
(1Z,3S,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 101049806
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(1S,3aR,4R,7S)-7-(2-hydroxypropan-2-yl)-1-methyl-4-[tri(propan-2-yl)silyloxymethyl]-3,3a,4,7-tetrahydro-2H-azulen-1-ol
CID 102158595
(1E,3R,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 135067891
(1R,3aR,4S,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-1-triethylsilyloxy-3,3a,4,5,8,8a-hexahydro-2H-azulen-4-ol
CID 166444494
(1E)-1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol
CID 9927372
(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 11618686
[(3aS,5R,6S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methanol
CID 18609021
1-[5-(2-Hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol
CID 54035071

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
The IUPAC name of (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol (CID 10661663) is (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol.
What is the SMILES notation for (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
The canonical SMILES for (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol is CC(C)(C)[Si](C)(C)OCC1=C[C@H]2[C@@H](CC1)CC[C@]2(C)O.
What is the InChIKey of (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
The InChIKey is YZADHZMCZSAKLX-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-12-13-7-8-14-9-10-17(4,18)15(14)11-13/h11,14-15,18H,7-10,12H2,1-6H3/t14-,15-,17-/m0/s1.
What are the key properties of (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
(1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol has a molecular weight of 296.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol is sourced from PubChem (CID 10661663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).