ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate

C13H26O5Si — CID 87895424

IUPACethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
SMILESCCO[Si](OC)(OC)OCCCC1CCC2OC2C1
InChIInChI=1S/C13H26O5Si/c1-4-16-19(14-2,15-3)17-9-5-6-11-7-8-12-13(10-11)18-12/h11-13H,4-10H2,1-3H3
InChIKeyFUJKYTZWICFGBM-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.12
Rot. Bonds9

About ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate

ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate (PubChem CID 87895424) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate.

Molecular Properties

Compound Nameethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
PubChem CID87895424
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Nameethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
SMILESCCO[Si](OC)(OC)OCCCC1CCC2OC2C1
InChIInChI=1S/C13H26O5Si/c1-4-16-19(14-2,15-3)17-9-5-6-11-7-8-12-13(10-11)18-12/h11-13H,4-10H2,1-3H3
InChIKeyFUJKYTZWICFGBM-UHFFFAOYSA-N
XLogP2.12
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
CID 141284988
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704
diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
CID 140618851
tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 156717714
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;3-trimethoxysilylpropane-1-thiol
CID 18692870
diethyl-(2-methoxyethoxy)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292663
trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate
CID 174784133
diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 160590157

Frequently Asked Questions

What is the IUPAC name of ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate?
The IUPAC name of ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate (CID 87895424) is ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate.
What is the SMILES notation for ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate?
The canonical SMILES for ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate is CCO[Si](OC)(OC)OCCCC1CCC2OC2C1.
What is the InChIKey of ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate?
The InChIKey is FUJKYTZWICFGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-4-16-19(14-2,15-3)17-9-5-6-11-7-8-12-13(10-11)18-12/h11-13H,4-10H2,1-3H3.
What are the key properties of ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate?
ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate has a molecular weight of 290.43 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate is sourced from PubChem (CID 87895424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).