ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate

C11H18O4 — CID 129386524

IUPACethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
SMILESCCOC(=O)/C=C\CO[C@@H]1CCCCO1
InChIInChI=1S/C11H18O4/c1-2-13-10(12)6-5-9-15-11-7-3-4-8-14-11/h5-6,11H,2-4,7-9H2,1H3/b6-5-/t11-/m1/s1
InChIKeyISMBVGHFCVQRFE-ISALQUGTSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate

ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate (PubChem CID 129386524) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
PubChem CID129386524
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
SMILESCCOC(=O)/C=C\CO[C@@H]1CCCCO1
InChIInChI=1S/C11H18O4/c1-2-13-10(12)6-5-9-15-11-7-3-4-8-14-11/h5-6,11H,2-4,7-9H2,1H3/b6-5-/t11-/m1/s1
InChIKeyISMBVGHFCVQRFE-ISALQUGTSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
ethyl (E)-4-cyclopentyloxybut-2-enoate
CID 80545801
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
1-O-ethyl 5-O-methyl (Z,4Z)-4-[(Z)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)but-2-enylidene]pent-2-enedioate
CID 25194278
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
ethyl (E)-4-(cyclopentylmethoxy)but-2-enoate
CID 80545807
2-[(E)-hept-2-enoxy]oxane
CID 12861157
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
(E)-2-bromo-4-(oxan-2-yloxy)but-2-enoic acid
CID 87487170
ethyl (E)-4-(3-methoxycyclohexyl)oxybut-2-enoate
CID 80545979

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate?
The IUPAC name of ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate (CID 129386524) is ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate.
What is the SMILES notation for ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate?
The canonical SMILES for ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate is CCOC(=O)/C=C\CO[C@@H]1CCCCO1.
What is the InChIKey of ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate?
The InChIKey is ISMBVGHFCVQRFE-ISALQUGTSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-13-10(12)6-5-9-15-11-7-3-4-8-14-11/h5-6,11H,2-4,7-9H2,1H3/b6-5-/t11-/m1/s1.
What are the key properties of ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate?
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate is sourced from PubChem (CID 129386524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).