(6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine

C11H22O2Si — CID 139030246

IUPAC(6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine
SMILESCC(C)[Si]1(C(C)C)OC/C=C\CCO1
InChIInChI=1S/C11H22O2Si/c1-10(2)14(11(3)4)12-8-6-5-7-9-13-14/h5-6,10-11H,7-9H2,1-4H3/b6-5-
InChIKeyYBYQYMPJHKPHMH-WAYWQWQTSA-N
MW214.38 g/mol
LogP3.24
Rot. Bonds2

About (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine

(6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine (PubChem CID 139030246) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine.

Molecular Properties

Compound Name(6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine
PubChem CID139030246
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine
SMILESCC(C)[Si]1(C(C)C)OC/C=C\CCO1
InChIInChI=1S/C11H22O2Si/c1-10(2)14(11(3)4)12-8-6-5-7-9-13-14/h5-6,10-11H,7-9H2,1-4H3/b6-5-
InChIKeyYBYQYMPJHKPHMH-WAYWQWQTSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine?
The IUPAC name of (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine (CID 139030246) is (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine.
What is the SMILES notation for (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine?
The canonical SMILES for (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine is CC(C)[Si]1(C(C)C)OC/C=C\CCO1.
What is the InChIKey of (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine?
The InChIKey is YBYQYMPJHKPHMH-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(2)14(11(3)4)12-8-6-5-7-9-13-14/h5-6,10-11H,7-9H2,1-4H3/b6-5-.
What are the key properties of (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine?
(6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine has a molecular weight of 214.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocine is sourced from PubChem (CID 139030246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).