(4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane

C15H32O2Si — CID 11022046

IUPAC(4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane
SMILESCC(C)[C@@H]1C[C@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C15H32O2Si/c1-11(2)13-10-12(3)16-18(17-13,14(4,5)6)15(7,8)9/h11-13H,10H2,1-9H3/t12-,13-/m0/s1
InChIKeyMNLMLRMRVATKOA-STQMWFEESA-N
MW272.50 g/mol
LogP4.88
Rot. Bonds1

About (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane

(4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane (PubChem CID 11022046) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane
PubChem CID11022046
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane
SMILESCC(C)[C@@H]1C[C@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C15H32O2Si/c1-11(2)13-10-12(3)16-18(17-13,14(4,5)6)15(7,8)9/h11-13H,10H2,1-9H3/t12-,13-/m0/s1
InChIKeyMNLMLRMRVATKOA-STQMWFEESA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane?
The IUPAC name of (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane (CID 11022046) is (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane.
What is the SMILES notation for (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane?
The canonical SMILES for (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane is CC(C)[C@@H]1C[C@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane?
The InChIKey is MNLMLRMRVATKOA-STQMWFEESA-N. The full InChI is InChI=1S/C15H32O2Si/c1-11(2)13-10-12(3)16-18(17-13,14(4,5)6)15(7,8)9/h11-13H,10H2,1-9H3/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane?
(4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane has a molecular weight of 272.50 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-2,2-ditert-butyl-4-methyl-6-propan-2-yl-1,3,2-dioxasilinane is sourced from PubChem (CID 11022046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).