methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate

C11H16O3 — CID 142311743

IUPACmethyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate
SMILESC=C[C@@H]1CC(=C)C[C@@H](CC(=O)OC)O1
InChIInChI=1S/C11H16O3/c1-4-9-5-8(2)6-10(14-9)7-11(12)13-3/h4,9-10H,1-2,5-7H2,3H3/t9-,10+/m1/s1
InChIKeyJLSVTYCPQPADMM-ZJUUUORDSA-N
MW196.25 g/mol
LogP1.84
Rot. Bonds3

About methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate

methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate (PubChem CID 142311743) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate
PubChem CID142311743
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate
SMILESC=C[C@@H]1CC(=C)C[C@@H](CC(=O)OC)O1
InChIInChI=1S/C11H16O3/c1-4-9-5-8(2)6-10(14-9)7-11(12)13-3/h4,9-10H,1-2,5-7H2,3H3/t9-,10+/m1/s1
InChIKeyJLSVTYCPQPADMM-ZJUUUORDSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate (CID 142311743) is methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate is C=C[C@@H]1CC(=C)C[C@@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate?
The InChIKey is JLSVTYCPQPADMM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-9-5-8(2)6-10(14-9)7-11(12)13-3/h4,9-10H,1-2,5-7H2,3H3/t9-,10+/m1/s1.
What are the key properties of methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate?
methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate has a molecular weight of 196.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate is sourced from PubChem (CID 142311743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).