(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid

C10H14O3 — CID 89260424

IUPAC(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid
SMILESC=CC1OC1C/C=C\CCC(=O)O
InChIInChI=1S/C10H14O3/c1-2-8-9(13-8)6-4-3-5-7-10(11)12/h2-4,8-9H,1,5-7H2,(H,11,12)/b4-3-
InChIKeyVTYIKIPGYOTACZ-ARJAWSKDSA-N
MW182.22 g/mol
LogP1.75
Rot. Bonds6

About (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid

(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid (PubChem CID 89260424) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid
PubChem CID89260424
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid
SMILESC=CC1OC1C/C=C\CCC(=O)O
InChIInChI=1S/C10H14O3/c1-2-8-9(13-8)6-4-3-5-7-10(11)12/h2-4,8-9H,1,5-7H2,(H,11,12)/b4-3-
InChIKeyVTYIKIPGYOTACZ-ARJAWSKDSA-N
XLogP1.75
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-[(2R,3R)-3-pent-2-enyloxiran-2-yl]pentadeca-4,7,10,12,14-pentaenoic acid
CID 90854616
18-[(2R,3S)-3-ethyloxiran-2-yl]octadeca-4,7,10,13,16-pentaenoic acid
CID 171319447
18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid
CID 53394075
(4Z,7Z)-9-[3-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]oxiran-2-yl]nona-4,7-dienoic acid
CID 11638767
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
iodomethyl (Z)-6-(3-formyloxiran-2-yl)hex-4-enoate
CID 89111969
(5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
CID 5353666
(5Z,9E)-8-hydroxy-10-[(2R,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
CID 23639334
11-[(2R,3S)-3-pent-2-enyloxiran-2-yl]undec-9-enoic acid
CID 123663890
(4E,7E,10E,13E,15E,17E)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,15,17-hexaenoic acid
CID 25259380
(5Z,8Z)-10-[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid
CID 93024524
(5E,8E,11E)-13-[(2S,3R)-3-[(E)-pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoic acid
CID 125383897

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid?
The IUPAC name of (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid (CID 89260424) is (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid.
What is the SMILES notation for (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid?
The canonical SMILES for (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid is C=CC1OC1C/C=C\CCC(=O)O.
What is the InChIKey of (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid?
The InChIKey is VTYIKIPGYOTACZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-8-9(13-8)6-4-3-5-7-10(11)12/h2-4,8-9H,1,5-7H2,(H,11,12)/b4-3-.
What are the key properties of (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid?
(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid is sourced from PubChem (CID 89260424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).