methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate

C11H18O4 — CID 11806055

IUPACmethyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate
SMILESCOC(=O)/C=C/[C@H](C)OC1CCCCO1
InChIInChI=1S/C11H18O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h6-7,9,11H,3-5,8H2,1-2H3/b7-6+/t9-,11?/m0/s1
InChIKeyDXECUKLEZCXEBU-JHNXKFSASA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds4

About methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate

methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate (PubChem CID 11806055) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate
PubChem CID11806055
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate
SMILESCOC(=O)/C=C/[C@H](C)OC1CCCCO1
InChIInChI=1S/C11H18O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h6-7,9,11H,3-5,8H2,1-2H3/b7-6+/t9-,11?/m0/s1
InChIKeyDXECUKLEZCXEBU-JHNXKFSASA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
(5S)-5-(Tetrahydropyran-2-yloxymethyl)-5H-furan-2-one
CID 14432036
methyl (Z,4S)-4-(oxan-2-yloxy)pent-2-enoate
CID 59560731
methyl (2E,4Z)-3-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 5469965
ethyl (Z)-2-fluoro-6-(oxan-2-yloxy)hex-2-enoate
CID 10825238
2-Butenoic acid, 4-(tetrahydro-2H-pyran-2-yloxy)-, methyl ester
CID 5367955
(E,4S,7S)-7-hydroxy-4-(oxan-2-yloxy)oct-2-enoic acid
CID 11032567
methyl (E,4S)-4-methyl-5-(oxan-2-yloxy)pent-2-enoate
CID 11481583
ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
CID 11483205
(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CID 11826942
methyl (E)-6-(oxan-2-yloxy)hex-4-enoate
CID 13860243
propan-2-yl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 14214411

Frequently Asked Questions

What is the IUPAC name of methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate?
The IUPAC name of methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate (CID 11806055) is methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate.
What is the SMILES notation for methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate?
The canonical SMILES for methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate is COC(=O)/C=C/[C@H](C)OC1CCCCO1.
What is the InChIKey of methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate?
The InChIKey is DXECUKLEZCXEBU-JHNXKFSASA-N. The full InChI is InChI=1S/C11H18O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h6-7,9,11H,3-5,8H2,1-2H3/b7-6+/t9-,11?/m0/s1.
What are the key properties of methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate?
methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate is sourced from PubChem (CID 11806055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).