[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane

C18H34O2Si — CID 12063082

IUPAC[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@H]1C=CC[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H34O2Si/c1-12(2)21(13(3)4,14(5)6)16-11-9-10-15-17(16)20-18(7,8)19-15/h9,11-17H,10H2,1-8H3/t15-,16-,17-/m0/s1
InChIKeyUDZZAYDDOBDSLI-ULQDDVLXSA-N
MW310.55 g/mol
LogP5.52
Rot. Bonds4

About [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane

[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane (PubChem CID 12063082) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane
PubChem CID12063082
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@H]1C=CC[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H34O2Si/c1-12(2)21(13(3)4,14(5)6)16-11-9-10-15-17(16)20-18(7,8)19-15/h9,11-17H,10H2,1-8H3/t15-,16-,17-/m0/s1
InChIKeyUDZZAYDDOBDSLI-ULQDDVLXSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane (CID 12063082) is [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)[C@H]1C=CC[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane?
The InChIKey is UDZZAYDDOBDSLI-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-12(2)21(13(3)4,14(5)6)16-11-9-10-15-17(16)20-18(7,8)19-15/h9,11-17H,10H2,1-8H3/t15-,16-,17-/m0/s1.
What are the key properties of [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane?
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane has a molecular weight of 310.55 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 12063082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).