(2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C17H28O6Si2 — CID 101243648

IUPAC(2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCO[Si](CCC[Si](C)(C)C1C2C=CC1[C@@H]1C(=O)OC(=O)[C@H]21)(OC)OC
InChIInChI=1S/C17H28O6Si2/c1-20-25(21-2,22-3)10-6-9-24(4,5)15-11-7-8-12(15)14-13(11)16(18)23-17(14)19/h7-8,11-15H,6,9-10H2,1-5H3/t11?,12?,13-,14+,15?
InChIKeyDUMJAGULXDSFMS-QRFUTXMCSA-N
MW384.58 g/mol
LogP2.46
Rot. Bonds8

About (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 101243648) has the molecular formula C17H28O6Si2 and a molecular weight of 384.58 g/mol. Its IUPAC name is (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID101243648
Molecular FormulaC17H28O6Si2
Molecular Weight384.58 g/mol
Exact Mass384.14
IUPAC Name(2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCO[Si](CCC[Si](C)(C)C1C2C=CC1[C@@H]1C(=O)OC(=O)[C@H]21)(OC)OC
InChIInChI=1S/C17H28O6Si2/c1-20-25(21-2,22-3)10-6-9-24(4,5)15-11-7-8-12(15)14-13(11)16(18)23-17(14)19/h7-8,11-15H,6,9-10H2,1-5H3/t11?,12?,13-,14+,15?
InChIKeyDUMJAGULXDSFMS-QRFUTXMCSA-N
XLogP2.46
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.58
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 101243648) is (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CO[Si](CCC[Si](C)(C)C1C2C=CC1[C@@H]1C(=O)OC(=O)[C@H]21)(OC)OC.
What is the InChIKey of (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is DUMJAGULXDSFMS-QRFUTXMCSA-N. The full InChI is InChI=1S/C17H28O6Si2/c1-20-25(21-2,22-3)10-6-9-24(4,5)15-11-7-8-12(15)14-13(11)16(18)23-17(14)19/h7-8,11-15H,6,9-10H2,1-5H3/t11?,12?,13-,14+,15?.
What are the key properties of (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 384.58 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-10-[dimethyl(3-trimethoxysilylpropyl)silyl]-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 101243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).