(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal

C10H14O2 — CID 102101299

IUPAC(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal
SMILESCC/C=C\C[C@H]1O[C@@H]1/C=C/C=O
InChIInChI=1S/C10H14O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h3-5,7-10H,2,6H2,1H3/b4-3-,7-5+/t9-,10-/m1/s1
InChIKeyBUBVCDNSLANWSR-XZNFUMNTSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds5

About (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal

(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal (PubChem CID 102101299) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal
PubChem CID102101299
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal
SMILESCC/C=C\C[C@H]1O[C@@H]1/C=C/C=O
InChIInChI=1S/C10H14O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h3-5,7-10H,2,6H2,1H3/b4-3-,7-5+/t9-,10-/m1/s1
InChIKeyBUBVCDNSLANWSR-XZNFUMNTSA-N
XLogP1.87
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-(3-butyloxiran-2-yl)prop-2-enal
CID 5352491
15-[(2R,3R)-3-pent-2-enyloxiran-2-yl]pentadeca-4,7,10,12,14-pentaenoic acid
CID 90854616
(E)-9-oxo-11-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid
CID 163103644
(9S)-9-hydroxy-2-methyl-11-[(2R,3S)-3-pent-2-enyloxiran-2-yl]undec-10-enoic acid
CID 91166100
(E)-pent-2-enal
CID 5364752
(3aR,6R,6aR)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10911311
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(2E)-nona-2,6-dienal
CID 6992048
(2E)-octa-2,5-dienal
CID 152586701
(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal
CID 22845980
(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol
CID 131248780
[(4R,5S)-2,2-dimethyl-5-[(Z)-pent-2-enyl]-1,3-dioxolan-4-yl]methanol
CID 14191868

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal?
The IUPAC name of (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal (CID 102101299) is (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal?
The canonical SMILES for (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal is CC/C=C\C[C@H]1O[C@@H]1/C=C/C=O.
What is the InChIKey of (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal?
The InChIKey is BUBVCDNSLANWSR-XZNFUMNTSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h3-5,7-10H,2,6H2,1H3/b4-3-,7-5+/t9-,10-/m1/s1.
What are the key properties of (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal?
(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal has a molecular weight of 166.22 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal is sourced from PubChem (CID 102101299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).