(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran

C14H26O3Si — CID 71723079

IUPAC(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran
SMILESC[C@@H]1OC=C[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)O[C@H]12
InChIInChI=1S/C14H26O3Si/c1-10-12-11(8-9-15-10)16-18(17-12,13(2,3)4)14(5,6)7/h8-12H,1-7H3/t10-,11-,12+/m0/s1
InChIKeyJHFUUPXMXIAPQY-SDDRHHMPSA-N
MW270.44 g/mol
LogP3.75
Rot. Bonds

About (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran

(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran (PubChem CID 71723079) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran
PubChem CID71723079
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran
SMILESC[C@@H]1OC=C[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)O[C@H]12
InChIInChI=1S/C14H26O3Si/c1-10-12-11(8-9-15-10)16-18(17-12,13(2,3)4)14(5,6)7/h8-12H,1-7H3/t10-,11-,12+/m0/s1
InChIKeyJHFUUPXMXIAPQY-SDDRHHMPSA-N
XLogP3.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
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 (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran?
The IUPAC name of (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran (CID 71723079) is (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran.
What is the SMILES notation for (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran?
The canonical SMILES for (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran is C[C@@H]1OC=C[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)O[C@H]12.
What is the InChIKey of (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran?
The InChIKey is JHFUUPXMXIAPQY-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-10-12-11(8-9-15-10)16-18(17-12,13(2,3)4)14(5,6)7/h8-12H,1-7H3/t10-,11-,12+/m0/s1.
What are the key properties of (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran?
(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran has a molecular weight of 270.44 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran is sourced from PubChem (CID 71723079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).