ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate

C11H18O3 — CID 134856066

IUPACethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate
SMILESC=C[C@@H]1CCC[C@H](CC(=O)OCC)O1
InChIInChI=1S/C11H18O3/c1-3-9-6-5-7-10(14-9)8-11(12)13-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyANLXDTWJIDRTCF-NXEZZACHSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate

ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate (PubChem CID 134856066) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate
PubChem CID134856066
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate
SMILESC=C[C@@H]1CCC[C@H](CC(=O)OCC)O1
InChIInChI=1S/C11H18O3/c1-3-9-6-5-7-10(14-9)8-11(12)13-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyANLXDTWJIDRTCF-NXEZZACHSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Allyl 10-undecenoate
CID 61412
Isopropyl undecylenate
CID 79578
(4R,5R)-5-heptyl-4-oct-1-en-3-yloxyoxolan-2-one
CID 44426428
rac-methyl 2-[(2R,6R)-4-oxo-6-(prop-2-en-1-yl)oxan-2-yl]acetate
CID 165820991
11-Ethenyl-oxacycloundecan-2-one
CID 12825591
13-Ethenyl-oxacyclotridecan-2-one
CID 12825592
(4,4-Difluoro-5-oxodec-1-en-3-yl) pentanoate
CID 19992614
Isopropyl 11-dodecenoate
CID 17824977
Sec-butyl 9-decenoate
CID 88933092
methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate
CID 11252605
Octanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester
CID 11458828
Undecanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester
CID 11737315

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate (CID 134856066) is ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate is C=C[C@@H]1CCC[C@H](CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate?
The InChIKey is ANLXDTWJIDRTCF-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9-6-5-7-10(14-9)8-11(12)13-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate?
ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate is sourced from PubChem (CID 134856066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).