2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate

C15H24O3 — CID 46854981

IUPAC2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESC=C[C@@H]1CC(=C)C[C@H](CCOC(=O)C(C)(C)C)O1
InChIInChI=1S/C15H24O3/c1-6-12-9-11(2)10-13(18-12)7-8-17-14(16)15(3,4)5/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13+/m1/s1
InChIKeySGXJMNPRBQIKIS-OLZOCXBDSA-N
MW252.35 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 46854981) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate
PubChem CID46854981
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESC=C[C@@H]1CC(=C)C[C@H](CCOC(=O)C(C)(C)C)O1
InChIInChI=1S/C15H24O3/c1-6-12-9-11(2)10-13(18-12)7-8-17-14(16)15(3,4)5/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13+/m1/s1
InChIKeySGXJMNPRBQIKIS-OLZOCXBDSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.26
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 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate (CID 46854981) is 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate is C=C[C@@H]1CC(=C)C[C@H](CCOC(=O)C(C)(C)C)O1.
What is the InChIKey of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is SGXJMNPRBQIKIS-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-12-9-11(2)10-13(18-12)7-8-17-14(16)15(3,4)5/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13+/m1/s1.
What are the key properties of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate?
2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 252.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 46854981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).