[(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane

C16H30O3Si — CID 24861888

IUPAC[(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2C=CCC[C@@]2(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O3Si/c1-14(2,3)20(6,7)17-12-16-11-9-8-10-13(16)18-15(4,5)19-16/h8,10,13H,9,11-12H2,1-7H3/t13-,16-/m0/s1
InChIKeyKSZYNAZXQITIAZ-BBRMVZONSA-N
MW298.50 g/mol
LogP4.25
Rot. Bonds3

About [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane

[(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 24861888) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID24861888
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2C=CCC[C@@]2(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O3Si/c1-14(2,3)20(6,7)17-12-16-11-9-8-10-13(16)18-15(4,5)19-16/h8,10,13H,9,11-12H2,1-7H3/t13-,16-/m0/s1
InChIKeyKSZYNAZXQITIAZ-BBRMVZONSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[[(1S,5R)-7-methylidene-6-oxabicyclo[3.2.1]oct-3-en-1-yl]oxy]silane
CID 134832645
[(3aR,4S,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10935827
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 24861887
[(3aR,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-trimethylsilane
CID 46180361
[(2R,3aR,7aR)-2-ethenyl-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202927
tert-butyl-dimethyl-[[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 135040498
(3aS,4S,7aR)-2,2,4,7a-tetramethyl-4,5-dihydro-3aH-1,3-benzodioxole
CID 21670914
Tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 57103084
CID 58805442
CID 58805442
CID 58805457
CID 58805457
(+)-tert-butyl(((3aR,4R,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methoxy)dimethylsilane
CID 89762123

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane (CID 24861888) is [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2C=CCC[C@@]2(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is KSZYNAZXQITIAZ-BBRMVZONSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-14(2,3)20(6,7)17-12-16-11-9-8-10-13(16)18-15(4,5)19-16/h8,10,13H,9,11-12H2,1-7H3/t13-,16-/m0/s1.
What are the key properties of [(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.25, 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-5,7a-dihydro-4H-1,3-benzodioxol-3a-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 24861888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).