4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

C19H32O4Si — CID 87988314

IUPAC4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SMILESCC1C=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C2C(=O)OC(=O)C12
InChIInChI=1S/C19H32O4Si/c1-10(2)24(11(3)4,12(5)6)23-15-9-13(7)16-17(14(15)8)19(21)22-18(16)20/h9-14,16-17H,1-8H3
InChIKeyJDERAXAYAFOWHH-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.66
Rot. Bonds5

About 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (PubChem CID 87988314) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
PubChem CID87988314
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SMILESCC1C=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C2C(=O)OC(=O)C12
InChIInChI=1S/C19H32O4Si/c1-10(2)24(11(3)4,12(5)6)23-15-9-13(7)16-17(14(15)8)19(21)22-18(16)20/h9-14,16-17H,1-8H3
InChIKeyJDERAXAYAFOWHH-UHFFFAOYSA-N
XLogP4.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The IUPAC name of 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CID 87988314) is 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The canonical SMILES for 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is CC1C=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C2C(=O)OC(=O)C12.
What is the InChIKey of 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The InChIKey is JDERAXAYAFOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-10(2)24(11(3)4,12(5)6)23-15-9-13(7)16-17(14(15)8)19(21)22-18(16)20/h9-14,16-17H,1-8H3.
What are the key properties of 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione has a molecular weight of 352.55 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is sourced from PubChem (CID 87988314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).