methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate

C11H18O3 — CID 11063404

IUPACmethyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC)[C@H]1CCCCO1
InChIInChI=1S/C11H18O3/c1-3-6-9(11(12)13-2)10-7-4-5-8-14-10/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyMFSKWEFTQHPEPU-NXEZZACHSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds4

About methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate

methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate (PubChem CID 11063404) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate
PubChem CID11063404
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC)[C@H]1CCCCO1
InChIInChI=1S/C11H18O3/c1-3-6-9(11(12)13-2)10-7-4-5-8-14-10/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyMFSKWEFTQHPEPU-NXEZZACHSA-N
XLogP1.92
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 ≤ 51.92
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

Plakortin
CID 44417613
methyl 2-[(3S,4R,6S)-4-ethyl-6-[(E)-2-ethylhex-3-enyl]-6-methyldioxan-3-yl]acetate
CID 44584191
Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
CID 300027
Ethyl Didehydroplakortide Z
CID 10401631
methyl 2-[(3S,4R,6S)-4,6-diethyl-6-[(E,2R)-2-ethylhex-3-enyl]dioxan-3-yl]acetate
CID 11493590
methyl 2-[(3S,4R,6S)-4-ethyl-6-[(E,2R)-2-ethylhex-3-enyl]-6-methyldioxan-3-yl]acetate
CID 11652539
(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
CID 102462794
5-(but-3-en-1-yl)-3-propyldihydrofuran-2(3H)-one
CID 139586521
methyl 2-[(3S,4S,6R)-4-ethyl-6-[(E,2R)-2-ethylhex-3-enyl]-6-methyldioxan-3-yl]acetate
CID 162908388
methyl 2-[(3R,4S,6R)-4-ethyl-6-[(E,2R)-2-ethylhex-3-enyl]-6-methyldioxan-3-yl]acetate
CID 162908389
Ethyl (R)-1-Allyl-2-oxocyclohexanecarboxylate
CID 11106631
(3S,4S)-3-non-8-enyl-4-propyl-oxetan-2-one
CID 86576803

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate?
The IUPAC name of methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate (CID 11063404) is methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate?
The canonical SMILES for methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate is C=CC[C@@H](C(=O)OC)[C@H]1CCCCO1.
What is the InChIKey of methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate?
The InChIKey is MFSKWEFTQHPEPU-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-6-9(11(12)13-2)10-7-4-5-8-14-10/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate?
methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-oxan-2-yl]pent-4-enoate is sourced from PubChem (CID 11063404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).