(4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol

C15H28O3Si — CID 134882501

IUPAC(4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)C[C@@H]2[C@H](O)C=CO[C@@H]2CO1
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(15(4,5)6)10-11-12(16)7-8-17-13(11)9-18-19/h7-8,11-13,16H,9-10H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyFRFKBMAQFARQFF-JHJVBQTASA-N
MW284.47 g/mol
LogP3.45
Rot. Bonds

About (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol

(4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol (PubChem CID 134882501) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol.

Molecular Properties

Compound Name(4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol
PubChem CID134882501
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)C[C@@H]2[C@H](O)C=CO[C@@H]2CO1
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(15(4,5)6)10-11-12(16)7-8-17-13(11)9-18-19/h7-8,11-13,16H,9-10H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyFRFKBMAQFARQFF-JHJVBQTASA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol?
The IUPAC name of (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol (CID 134882501) is (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol.
What is the SMILES notation for (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol?
The canonical SMILES for (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol is CC(C)(C)[Si]1(C(C)(C)C)C[C@@H]2[C@H](O)C=CO[C@@H]2CO1.
What is the InChIKey of (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol?
The InChIKey is FRFKBMAQFARQFF-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)19(15(4,5)6)10-11-12(16)7-8-17-13(11)9-18-19/h7-8,11-13,16H,9-10H2,1-6H3/t11-,12-,13-/m1/s1.
What are the key properties of (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol?
(4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol has a molecular weight of 284.47 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aS)-6,6-ditert-butyl-4a,5,8,8a-tetrahydro-4H-pyrano[3,2-d]oxasilin-4-ol is sourced from PubChem (CID 134882501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).