(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol

C15H28O2 — CID 15690750

IUPAC(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
SMILESCCCC/C=C/[C@H]1O[C@H]1C[C@@H](O)CCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-9-11-14-15(17-14)12-13(16)10-8-6-4-2/h9,11,13-16H,3-8,10,12H2,1-2H3/b11-9+/t13-,14+,15-/m0/s1
InChIKeyUSOOOOPMNYNWNM-WBYGEDABSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds10

About (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol

(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol (PubChem CID 15690750) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
PubChem CID15690750
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
SMILESCCCC/C=C/[C@H]1O[C@H]1C[C@@H](O)CCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-9-11-14-15(17-14)12-13(16)10-8-6-4-2/h9,11,13-16H,3-8,10,12H2,1-2H3/b11-9+/t13-,14+,15-/m0/s1
InChIKeyUSOOOOPMNYNWNM-WBYGEDABSA-N
XLogP3.83
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-10-(3-octyloxiran-2-yl)dec-8-en-1-ol
CID 44352195
(2E)-13-oxabicyclo[10.1.0]tridec-2-ene
CID 5359141
2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
CID 11344385
[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol
CID 11737155
(2S,3S)-2-[(Z)-but-1-enyl]-3-heptyloxirane
CID 101791562
(2S)-1-[(2R,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
CID 134888566
2-[3-(Cyclohexen-1-yl)oxiran-2-yl]ethanol
CID 134954405
3-[(2S,3R)-3-[(E)-hept-1-enyl]oxiran-2-yl]propan-1-ol
CID 134993058
(2S)-1-[(2S,3S)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
CID 135076867
2-[(2R,6S)-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
CID 162415505
(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-en-1-ol
CID 101723763
3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol
CID 12836080

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol?
The IUPAC name of (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol (CID 15690750) is (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol.
What is the SMILES notation for (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol?
The canonical SMILES for (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol is CCCC/C=C/[C@H]1O[C@H]1C[C@@H](O)CCCCC.
What is the InChIKey of (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol?
The InChIKey is USOOOOPMNYNWNM-WBYGEDABSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-9-11-14-15(17-14)12-13(16)10-8-6-4-2/h9,11,13-16H,3-8,10,12H2,1-2H3/b11-9+/t13-,14+,15-/m0/s1.
What are the key properties of (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol?
(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol is sourced from PubChem (CID 15690750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).