1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane

C14H30O4Si — CID 175205036

IUPAC1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane
SMILESCC(C)(C)O[SiH3].CCOC12CCCCC1(OCC)O2
InChIInChI=1S/C10H18O3.C4H12OSi/c1-3-11-9-7-5-6-8-10(9,13-9)12-4-2;1-4(2,3)5-6/h3-8H2,1-2H3;1-3,6H3
InChIKeyKUGSEWUXGPHMCM-UHFFFAOYSA-N
MW290.48 g/mol
LogP2.14
Rot. Bonds4

About 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane

1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane (PubChem CID 175205036) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane.

Molecular Properties

Compound Name1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane
PubChem CID175205036
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane
SMILESCC(C)(C)O[SiH3].CCOC12CCCCC1(OCC)O2
InChIInChI=1S/C10H18O3.C4H12OSi/c1-3-11-9-7-5-6-8-10(9,13-9)12-4-2;1-4(2,3)5-6/h3-8H2,1-2H3;1-3,6H3
InChIKeyKUGSEWUXGPHMCM-UHFFFAOYSA-N
XLogP2.14
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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CID 164600656
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
(1,2,2-triethoxycyclohexyl)silane
CID 173155217
tert-butyl 3-(1-ethoxycyclohexyl)-2-methyl-3-oxopropanoate
CID 116774910
1-butoxy-2-ethoxy-2-methoxycyclohexan-1-ol
CID 154491152
4-ethoxyoxane-4-carboxylic acid
CID 78969464
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206
1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine
CID 116762084
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
ethane;4-ethoxy-4-methyloxane
CID 143599120
1,1,3,3-tetraethoxycyclohexane
CID 151917056
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563

Frequently Asked Questions

What is the IUPAC name of 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane?
The IUPAC name of 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane (CID 175205036) is 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane.
What is the SMILES notation for 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane?
The canonical SMILES for 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane is CC(C)(C)O[SiH3].CCOC12CCCCC1(OCC)O2.
What is the InChIKey of 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane?
The InChIKey is KUGSEWUXGPHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C4H12OSi/c1-3-11-9-7-5-6-8-10(9,13-9)12-4-2;1-4(2,3)5-6/h3-8H2,1-2H3;1-3,6H3.
What are the key properties of 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane?
1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane has a molecular weight of 290.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane is sourced from PubChem (CID 175205036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).