(3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol

C15H32OSi2 — CID 146164631

IUPAC(3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
SMILESC[Si](C)(C)C1C(O)[C@@H]([Si](C)(C)C)[C@H]2CCCCC12
InChIInChI=1S/C15H32OSi2/c1-17(2,3)14-11-9-7-8-10-12(11)15(13(14)16)18(4,5)6/h11-16H,7-10H2,1-6H3/t11-,12?,13?,14-,15?/m0/s1
InChIKeyDHIHGUJWRDVMKA-PJQWEWFWSA-N
MW284.59 g/mol
LogP4.58
Rot. Bonds2

About (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol

(3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol (PubChem CID 146164631) has the molecular formula C15H32OSi2 and a molecular weight of 284.59 g/mol. Its IUPAC name is (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol.

Molecular Properties

Compound Name(3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
PubChem CID146164631
Molecular FormulaC15H32OSi2
Molecular Weight284.59 g/mol
Exact Mass284.20
IUPAC Name(3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
SMILESC[Si](C)(C)C1C(O)[C@@H]([Si](C)(C)C)[C@H]2CCCCC12
InChIInChI=1S/C15H32OSi2/c1-17(2,3)14-11-9-7-8-10-12(11)15(13(14)16)18(4,5)6/h11-16H,7-10H2,1-6H3/t11-,12?,13?,14-,15?/m0/s1
InChIKeyDHIHGUJWRDVMKA-PJQWEWFWSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol with MolForge

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Related Compounds

1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
CID 59557438
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
CID 90760130
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-tert-butyl-dimethylsilane
CID 59973478

Frequently Asked Questions

What is the IUPAC name of (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
The IUPAC name of (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol (CID 146164631) is (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol.
What is the SMILES notation for (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
The canonical SMILES for (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol is C[Si](C)(C)C1C(O)[C@@H]([Si](C)(C)C)[C@H]2CCCCC12.
What is the InChIKey of (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
The InChIKey is DHIHGUJWRDVMKA-PJQWEWFWSA-N. The full InChI is InChI=1S/C15H32OSi2/c1-17(2,3)14-11-9-7-8-10-12(11)15(13(14)16)18(4,5)6/h11-16H,7-10H2,1-6H3/t11-,12?,13?,14-,15?/m0/s1.
What are the key properties of (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
(3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol has a molecular weight of 284.59 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS)-1,3-bis(trimethylsilyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol is sourced from PubChem (CID 146164631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).