diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane

C14H28O5Si — CID 140618851

IUPACdiethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
SMILESCCO[Si](O)(OCC)OC(C)CCC1CCC2OC2C1
InChIInChI=1S/C14H28O5Si/c1-4-16-20(15,17-5-2)19-11(3)6-7-12-8-9-13-14(10-12)18-13/h11-15H,4-10H2,1-3H3
InChIKeyKXGSRCRAWLWPSL-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.24
Rot. Bonds9

About diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane

diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane (PubChem CID 140618851) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane.

Molecular Properties

Compound Namediethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
PubChem CID140618851
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Namediethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
SMILESCCO[Si](O)(OCC)OC(C)CCC1CCC2OC2C1
InChIInChI=1S/C14H28O5Si/c1-4-16-20(15,17-5-2)19-11(3)6-7-12-8-9-13-14(10-12)18-13/h11-15H,4-10H2,1-3H3
InChIKeyKXGSRCRAWLWPSL-UHFFFAOYSA-N
XLogP2.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
CID 87895424
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
2-methoxy-4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-1-ol
CID 174911718
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704
[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate
CID 22292669
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane
CID 173466306
CID 22630444
CID 22630444

Frequently Asked Questions

What is the IUPAC name of diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane?
The IUPAC name of diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane (CID 140618851) is diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane.
What is the SMILES notation for diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane?
The canonical SMILES for diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane is CCO[Si](O)(OCC)OC(C)CCC1CCC2OC2C1.
What is the InChIKey of diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane?
The InChIKey is KXGSRCRAWLWPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-4-16-20(15,17-5-2)19-11(3)6-7-12-8-9-13-14(10-12)18-13/h11-15H,4-10H2,1-3H3.
What are the key properties of diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane?
diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane has a molecular weight of 304.46 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane is sourced from PubChem (CID 140618851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).