6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione

C26H48O6Si — CID 10874561

IUPAC6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione
SMILESCC(C)[Si](C)(C)OC1C(=O)C(=O)C(OC2CCCCO2)C(C)(C)CCCOCCCC1(C)C
InChIInChI=1S/C26H48O6Si/c1-19(2)33(7,8)32-24-22(28)21(27)23(31-20-13-9-10-18-30-20)25(3,4)14-11-16-29-17-12-15-26(24,5)6/h19-20,23-24H,9-18H2,1-8H3
InChIKeyJKBCKNWGASDGKE-UHFFFAOYSA-N
MW484.75 g/mol
LogP5.68
Rot. Bonds5

About 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione

6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione (PubChem CID 10874561) has the molecular formula C26H48O6Si and a molecular weight of 484.75 g/mol. Its IUPAC name is 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione.

Molecular Properties

Compound Name6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione
PubChem CID10874561
Molecular FormulaC26H48O6Si
Molecular Weight484.75 g/mol
Exact Mass484.32
IUPAC Name6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione
SMILESCC(C)[Si](C)(C)OC1C(=O)C(=O)C(OC2CCCCO2)C(C)(C)CCCOCCCC1(C)C
InChIInChI=1S/C26H48O6Si/c1-19(2)33(7,8)32-24-22(28)21(27)23(31-20-13-9-10-18-30-20)25(3,4)14-11-16-29-17-12-15-26(24,5)6/h19-20,23-24H,9-18H2,1-8H3
InChIKeyJKBCKNWGASDGKE-UHFFFAOYSA-N
XLogP5.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-[Dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione
CID 10505563

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione?
The IUPAC name of 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione (CID 10874561) is 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione.
What is the SMILES notation for 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione?
The canonical SMILES for 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione is CC(C)[Si](C)(C)OC1C(=O)C(=O)C(OC2CCCCO2)C(C)(C)CCCOCCCC1(C)C.
What is the InChIKey of 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione?
The InChIKey is JKBCKNWGASDGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O6Si/c1-19(2)33(7,8)32-24-22(28)21(27)23(31-20-13-9-10-18-30-20)25(3,4)14-11-16-29-17-12-15-26(24,5)6/h19-20,23-24H,9-18H2,1-8H3.
What are the key properties of 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione?
6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione has a molecular weight of 484.75 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl(propan-2-yl)silyl]oxy-5,5,10,10-tetramethyl-9-(oxan-2-yloxy)-oxacyclotridecane-7,8-dione is sourced from PubChem (CID 10874561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).