[(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane

C14H24O4Si — CID 134883087

IUPAC[(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1COC/C(=C/[Si](C)(C)C)[C@@H]2O1
InChIInChI=1S/C14H24O4Si/c1-14(2)17-12-10-7-15-6-9(8-19(3,4)5)11(16-10)13(12)18-14/h8,10-13H,6-7H2,1-5H3/b9-8-/t10-,11+,12-,13+/m1/s1
InChIKeySDIFQBRUXBFWBQ-WBECUAAGSA-N
MW284.43 g/mol
LogP2.11
Rot. Bonds1

About [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane

[(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane (PubChem CID 134883087) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane
PubChem CID134883087
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name[(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1COC/C(=C/[Si](C)(C)C)[C@@H]2O1
InChIInChI=1S/C14H24O4Si/c1-14(2)17-12-10-7-15-6-9(8-19(3,4)5)11(16-10)13(12)18-14/h8,10-13H,6-7H2,1-5H3/b9-8-/t10-,11+,12-,13+/m1/s1
InChIKeySDIFQBRUXBFWBQ-WBECUAAGSA-N
XLogP2.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane (CID 134883087) is [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane is CC1(C)O[C@@H]2[C@H](O1)[C@H]1COC/C(=C/[Si](C)(C)C)[C@@H]2O1.
What is the InChIKey of [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane?
The InChIKey is SDIFQBRUXBFWBQ-WBECUAAGSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-14(2)17-12-10-7-15-6-9(8-19(3,4)5)11(16-10)13(12)18-14/h8,10-13H,6-7H2,1-5H3/b9-8-/t10-,11+,12-,13+/m1/s1.
What are the key properties of [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane?
[(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane has a molecular weight of 284.43 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(1S,2S,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecan-11-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 134883087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).