(1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane

C7H14OSi — CID 11137270

IUPAC(1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane
SMILESC[Si]1(C)CC[C@H]2O[C@H]2C1
InChIInChI=1S/C7H14OSi/c1-9(2)4-3-6-7(5-9)8-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyUCFPGMSJYOIBJQ-RQJHMYQMSA-N
MW142.27 g/mol
LogP1.87
Rot. Bonds

About (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane

(1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane (PubChem CID 11137270) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane
PubChem CID11137270
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane
SMILESC[Si]1(C)CC[C@H]2O[C@H]2C1
InChIInChI=1S/C7H14OSi/c1-9(2)4-3-6-7(5-9)8-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyUCFPGMSJYOIBJQ-RQJHMYQMSA-N
XLogP1.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1,1-dimethylsilolane
CID 122714183
3-iodo-1,1-dimethylsilolane
CID 122714210
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
4-methyl-8-oxabicyclo[5.1.0]octane
CID 45120447
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
2-(1,1-dimethylsilolan-3-yl)ethanamine
CID 122714220
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane (CID 11137270) is (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane is C[Si]1(C)CC[C@H]2O[C@H]2C1.
What is the InChIKey of (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane?
The InChIKey is UCFPGMSJYOIBJQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14OSi/c1-9(2)4-3-6-7(5-9)8-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane?
(1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane has a molecular weight of 142.27 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-3,3-dimethyl-7-oxa-3-silabicyclo[4.1.0]heptane is sourced from PubChem (CID 11137270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).