[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane

C14H24O3Si — CID 10378358

IUPAC[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)C1=CC=C[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H24O3Si/c1-10(2)17-18(5,6)12-9-7-8-11-13(12)16-14(3,4)15-11/h7-11,13H,1-6H3/t11-,13-/m0/s1
InChIKeyKIMQDBXCAAUBMD-AAEUAGOBSA-N
MW268.43 g/mol
LogP3.17
Rot. Bonds3

About [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane

[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane (PubChem CID 10378358) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane.

Molecular Properties

Compound Name[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane
PubChem CID10378358
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)C1=CC=C[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H24O3Si/c1-10(2)17-18(5,6)12-9-7-8-11-13(12)16-14(3,4)15-11/h7-11,13H,1-6H3/t11-,13-/m0/s1
InChIKeyKIMQDBXCAAUBMD-AAEUAGOBSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.17
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 [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane?
The IUPAC name of [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane (CID 10378358) is [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane.
What is the SMILES notation for [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane?
The canonical SMILES for [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane is CC(C)O[Si](C)(C)C1=CC=C[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane?
The InChIKey is KIMQDBXCAAUBMD-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-10(2)17-18(5,6)12-9-7-8-11-13(12)16-14(3,4)15-11/h7-11,13H,1-6H3/t11-,13-/m0/s1.
What are the key properties of [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane?
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane has a molecular weight of 268.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane is sourced from PubChem (CID 10378358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).