[(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol

C32H64O3Si2 — CID 46197912

IUPAC[(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol
SMILESCC1=C[C@@H]2[C@H]([C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CO)[C@@H](C)CC[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H64O3Si2/c1-20(2)36(21(3)4,22(5)6)34-19-30-29(18-33)27(14)17-28-31(16-15-26(13)32(28)30)35-37(23(7)8,24(9)10)25(11)12/h17,20-26,28-33H,15-16,18-19H2,1-14H3/t26-,28-,29+,30+,31-,32+/m0/s1
InChIKeyZGDIVSIDZPNKRQ-MFTNNNQPSA-N
MW553.03 g/mol
LogP9.59
Rot. Bonds12

About [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol

[(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol (PubChem CID 46197912) has the molecular formula C32H64O3Si2 and a molecular weight of 553.03 g/mol. Its IUPAC name is [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol
PubChem CID46197912
Molecular FormulaC32H64O3Si2
Molecular Weight553.03 g/mol
Exact Mass552.44
IUPAC Name[(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol
SMILESCC1=C[C@@H]2[C@H]([C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CO)[C@@H](C)CC[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H64O3Si2/c1-20(2)36(21(3)4,22(5)6)34-19-30-29(18-33)27(14)17-28-31(16-15-26(13)32(28)30)35-37(23(7)8,24(9)10)25(11)12/h17,20-26,28-33H,15-16,18-19H2,1-14H3/t26-,28-,29+,30+,31-,32+/m0/s1
InChIKeyZGDIVSIDZPNKRQ-MFTNNNQPSA-N
XLogP9.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.03
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol?
The IUPAC name of [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol (CID 46197912) is [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol is CC1=C[C@@H]2[C@H]([C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CO)[C@@H](C)CC[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol?
The InChIKey is ZGDIVSIDZPNKRQ-MFTNNNQPSA-N. The full InChI is InChI=1S/C32H64O3Si2/c1-20(2)36(21(3)4,22(5)6)34-19-30-29(18-33)27(14)17-28-31(16-15-26(13)32(28)30)35-37(23(7)8,24(9)10)25(11)12/h17,20-26,28-33H,15-16,18-19H2,1-14H3/t26-,28-,29+,30+,31-,32+/m0/s1.
What are the key properties of [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol?
[(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol has a molecular weight of 553.03 g/mol, XLogP of 9.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4aS,5S,8S,8aS)-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1-[tri(propan-2-yl)silyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 46197912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).