methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate

C20H34O3Si — CID 10020800

IUPACmethyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate
SMILESC/C=C/[C@@H]1[C@H]2CC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@]12C(=O)OC
InChIInChI=1S/C20H34O3Si/c1-9-10-16-17-11-12-18(20(16,17)19(21)22-8)23-24(13(2)3,14(4)5)15(6)7/h9-10,12-17H,11H2,1-8H3/b10-9+/t16-,17-,20-/m1/s1
InChIKeyVISCDMOJUOVTPX-FZRQPCOVSA-N
MW350.58 g/mol
LogP5.45
Rot. Bonds7

About methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate

methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate (PubChem CID 10020800) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate
PubChem CID10020800
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Namemethyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate
SMILESC/C=C/[C@@H]1[C@H]2CC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@]12C(=O)OC
InChIInChI=1S/C20H34O3Si/c1-9-10-16-17-11-12-18(20(16,17)19(21)22-8)23-24(13(2)3,14(4)5)15(6)7/h9-10,12-17H,11H2,1-8H3/b10-9+/t16-,17-,20-/m1/s1
InChIKeyVISCDMOJUOVTPX-FZRQPCOVSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate?
The IUPAC name of methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate (CID 10020800) is methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate is C/C=C/[C@@H]1[C@H]2CC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@]12C(=O)OC.
What is the InChIKey of methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate?
The InChIKey is VISCDMOJUOVTPX-FZRQPCOVSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-9-10-16-17-11-12-18(20(16,17)19(21)22-8)23-24(13(2)3,14(4)5)15(6)7/h9-10,12-17H,11H2,1-8H3/b10-9+/t16-,17-,20-/m1/s1.
What are the key properties of methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate?
methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate has a molecular weight of 350.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate is sourced from PubChem (CID 10020800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).