(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol

C9H14O2 — CID 131248780

IUPAC(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol
SMILESC/C=C/C[C@@H]1O[C@H]1/C=C/CO
InChIInChI=1S/C9H14O2/c1-2-3-5-8-9(11-8)6-4-7-10/h2-4,6,8-10H,5,7H2,1H3/b3-2+,6-4+/t8-,9-/m0/s1
InChIKeyGGIVOFSUSVPXSQ-DJUHTLMDSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds4

About (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol

(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol (PubChem CID 131248780) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol
PubChem CID131248780
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol
SMILESC/C=C/C[C@@H]1O[C@H]1/C=C/CO
InChIInChI=1S/C9H14O2/c1-2-3-5-8-9(11-8)6-4-7-10/h2-4,6,8-10H,5,7H2,1H3/b3-2+,6-4+/t8-,9-/m0/s1
InChIKeyGGIVOFSUSVPXSQ-DJUHTLMDSA-N
XLogP1.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
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'}

Analyze (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585
(E)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 25269666
(4S,5R)-4-[(E)-but-2-enyl]-5-(hydroxymethyl)-1,3-dioxolan-2-one
CID 118026916
(E)-3-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]prop-2-enal
CID 102101299
(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol
CID 59658485
(E)-9-oxo-11-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid
CID 163103644
(E)-3-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 71812938
2-but-2-enyl-4-methyl-1,3-dioxetane
CID 69303786
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
[(2S,4R,5S)-5-[(E)-but-1-enyl]-2-methyl-1,3-dioxolan-4-yl]methanol
CID 131241217
[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
CID 53391687
15-[(2R,3R)-3-pent-2-enyloxiran-2-yl]pentadeca-4,7,10,12,14-pentaenoic acid
CID 90854616

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol (CID 131248780) is (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol is C/C=C/C[C@@H]1O[C@H]1/C=C/CO.
What is the InChIKey of (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol?
The InChIKey is GGIVOFSUSVPXSQ-DJUHTLMDSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-5-8-9(11-8)6-4-7-10/h2-4,6,8-10H,5,7H2,1H3/b3-2+,6-4+/t8-,9-/m0/s1.
What are the key properties of (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol?
(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 131248780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).