(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one

C16H24O4Si — CID 10709958

IUPAC(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=C2C(=O)OCCC3=C[C@@H](C1)O[C@H]32
InChIInChI=1S/C16H24O4Si/c1-16(2,3)21(4,5)20-12-9-11-8-10-6-7-18-15(17)13(12)14(10)19-11/h8,11,14H,6-7,9H2,1-5H3/t11-,14+/m0/s1
InChIKeyJOSYDNHGGDKVMV-SMDDNHRTSA-N
MW308.45 g/mol
LogP3.31
Rot. Bonds2

About (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one

(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one (PubChem CID 10709958) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one.

Molecular Properties

Compound Name(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one
PubChem CID10709958
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Name(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=C2C(=O)OCCC3=C[C@@H](C1)O[C@H]32
InChIInChI=1S/C16H24O4Si/c1-16(2,3)21(4,5)20-12-9-11-8-10-6-7-18-15(17)13(12)14(10)19-11/h8,11,14H,6-7,9H2,1-5H3/t11-,14+/m0/s1
InChIKeyJOSYDNHGGDKVMV-SMDDNHRTSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one?
The IUPAC name of (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one (CID 10709958) is (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one.
What is the SMILES notation for (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one?
The canonical SMILES for (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one is CC(C)(C)[Si](C)(C)OC1=C2C(=O)OCCC3=C[C@@H](C1)O[C@H]32.
What is the InChIKey of (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one?
The InChIKey is JOSYDNHGGDKVMV-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-16(2,3)21(4,5)20-12-9-11-8-10-6-7-18-15(17)13(12)14(10)19-11/h8,11,14H,6-7,9H2,1-5H3/t11-,14+/m0/s1.
What are the key properties of (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one?
(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one has a molecular weight of 308.45 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one is sourced from PubChem (CID 10709958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).