10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol

C18H36O5Si — CID 58602333

IUPAC10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OC2COCCCCCC1C(O)C2O
InChIInChI=1S/C18H36O5Si/c1-18(2,3)24(4,5)22-12-14-13-9-7-6-8-10-21-11-15(23-14)17(20)16(13)19/h13-17,19-20H,6-12H2,1-5H3
InChIKeyTYDPTWCBDAZEIU-UHFFFAOYSA-N
MW360.57 g/mol
LogP2.70
Rot. Bonds3

About 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol

10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol (PubChem CID 58602333) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol.

Molecular Properties

Compound Name10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol
PubChem CID58602333
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OC2COCCCCCC1C(O)C2O
InChIInChI=1S/C18H36O5Si/c1-18(2,3)24(4,5)22-12-14-13-9-7-6-8-10-21-11-15(23-14)17(20)16(13)19/h13-17,19-20H,6-12H2,1-5H3
InChIKeyTYDPTWCBDAZEIU-UHFFFAOYSA-N
XLogP2.70
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol?
The IUPAC name of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol (CID 58602333) is 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol.
What is the SMILES notation for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol?
The canonical SMILES for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol is CC(C)(C)[Si](C)(C)OCC1OC2COCCCCCC1C(O)C2O.
What is the InChIKey of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol?
The InChIKey is TYDPTWCBDAZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-18(2,3)24(4,5)22-12-14-13-9-7-6-8-10-21-11-15(23-14)17(20)16(13)19/h13-17,19-20H,6-12H2,1-5H3.
What are the key properties of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol?
10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol has a molecular weight of 360.57 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol is sourced from PubChem (CID 58602333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).