methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate

C16H26O4 — CID 11808155

IUPACmethyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@@H]1C[C@@H](OC2CCCCO2)[C@@H](C)[C@@H]1C(=O)OC
InChIInChI=1S/C16H26O4/c1-10(2)12-9-13(11(3)15(12)16(17)18-4)20-14-7-5-6-8-19-14/h11-15H,1,5-9H2,2-4H3/t11-,12+,13-,14?,15+/m1/s1
InChIKeyVPQPJIBYCUCLBH-LJIAPDMLSA-N
MW282.38 g/mol
LogP2.92
Rot. Bonds4

About methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate

methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 11808155) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID11808155
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namemethyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@@H]1C[C@@H](OC2CCCCO2)[C@@H](C)[C@@H]1C(=O)OC
InChIInChI=1S/C16H26O4/c1-10(2)12-9-13(11(3)15(12)16(17)18-4)20-14-7-5-6-8-19-14/h11-15H,1,5-9H2,2-4H3/t11-,12+,13-,14?,15+/m1/s1
InChIKeyVPQPJIBYCUCLBH-LJIAPDMLSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 11808155) is methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@@H]1C[C@@H](OC2CCCCO2)[C@@H](C)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is VPQPJIBYCUCLBH-LJIAPDMLSA-N. The full InChI is InChI=1S/C16H26O4/c1-10(2)12-9-13(11(3)15(12)16(17)18-4)20-14-7-5-6-8-19-14/h11-15H,1,5-9H2,2-4H3/t11-,12+,13-,14?,15+/m1/s1.
What are the key properties of methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3R,5R)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 11808155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).