trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane

C14H26O4Si — CID 20649998

IUPACtrimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
SMILESCCCC1C2C=CC(O2)C1CC[Si](OC)(OC)OC
InChIInChI=1S/C14H26O4Si/c1-5-6-11-12(14-8-7-13(11)18-14)9-10-19(15-2,16-3)17-4/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyQVGJXZXWZJMJPC-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.62
Rot. Bonds8

About trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane

trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane (PubChem CID 20649998) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
PubChem CID20649998
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Nametrimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
SMILESCCCC1C2C=CC(O2)C1CC[Si](OC)(OC)OC
InChIInChI=1S/C14H26O4Si/c1-5-6-11-12(14-8-7-13(11)18-14)9-10-19(15-2,16-3)17-4/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyQVGJXZXWZJMJPC-UHFFFAOYSA-N
XLogP2.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 134887451
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651
5-(3-Methoxypentan-3-yl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 57187301
(1R,3S,4S,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 59638508
Trimethoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)silane
CID 69884183
Triethoxy-[2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
CID 69884476
Triethoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)silane
CID 69884666
5-Butan-2-yl-7-oxabicyclo[2.2.1]hept-2-ene
CID 155725244
1-Ethyl-5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 176746953
tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane
CID 10945458
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
tert-butyl-[[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11463271

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane?
The IUPAC name of trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane (CID 20649998) is trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane.
What is the SMILES notation for trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane?
The canonical SMILES for trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane is CCCC1C2C=CC(O2)C1CC[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane?
The InChIKey is QVGJXZXWZJMJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-5-6-11-12(14-8-7-13(11)18-14)9-10-19(15-2,16-3)17-4/h7-8,11-14H,5-6,9-10H2,1-4H3.
What are the key properties of trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane?
trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane has a molecular weight of 286.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane is sourced from PubChem (CID 20649998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).