triethyl [(1R)-2-methylidenecyclopentyl] silicate

C12H24O4Si — CID 15208087

IUPACtriethyl [(1R)-2-methylidenecyclopentyl] silicate
SMILESC=C1CCC[C@H]1O[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-13-17(14-6-2,15-7-3)16-12-10-8-9-11(12)4/h12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyAAPZGROUCIHTGA-GFCCVEGCSA-N
MW260.41 g/mol
LogP2.66
Rot. Bonds8

About triethyl [(1R)-2-methylidenecyclopentyl] silicate

triethyl [(1R)-2-methylidenecyclopentyl] silicate (PubChem CID 15208087) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is triethyl [(1R)-2-methylidenecyclopentyl] silicate.

Molecular Properties

Compound Nametriethyl [(1R)-2-methylidenecyclopentyl] silicate
PubChem CID15208087
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Nametriethyl [(1R)-2-methylidenecyclopentyl] silicate
SMILESC=C1CCC[C@H]1O[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-13-17(14-6-2,15-7-3)16-12-10-8-9-11(12)4/h12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyAAPZGROUCIHTGA-GFCCVEGCSA-N
XLogP2.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of triethyl [(1R)-2-methylidenecyclopentyl] silicate?
The IUPAC name of triethyl [(1R)-2-methylidenecyclopentyl] silicate (CID 15208087) is triethyl [(1R)-2-methylidenecyclopentyl] silicate.
What is the SMILES notation for triethyl [(1R)-2-methylidenecyclopentyl] silicate?
The canonical SMILES for triethyl [(1R)-2-methylidenecyclopentyl] silicate is C=C1CCC[C@H]1O[Si](OCC)(OCC)OCC.
What is the InChIKey of triethyl [(1R)-2-methylidenecyclopentyl] silicate?
The InChIKey is AAPZGROUCIHTGA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-13-17(14-6-2,15-7-3)16-12-10-8-9-11(12)4/h12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of triethyl [(1R)-2-methylidenecyclopentyl] silicate?
triethyl [(1R)-2-methylidenecyclopentyl] silicate has a molecular weight of 260.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl [(1R)-2-methylidenecyclopentyl] silicate is sourced from PubChem (CID 15208087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).