(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol

C8H14O2 — CID 130757707

IUPAC(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@H](O)[C@@H]1O[C@@H]1C
InChIInChI=1S/C8H14O2/c1-3-4-5-7(9)8-6(2)10-8/h3,6-9H,1,4-5H2,2H3/t6-,7+,8-/m1/s1
InChIKeyYNNIFJDDRHKFOY-GJMOJQLCSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds4

About (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol

(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol (PubChem CID 130757707) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol
PubChem CID130757707
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@H](O)[C@@H]1O[C@@H]1C
InChIInChI=1S/C8H14O2/c1-3-4-5-7(9)8-6(2)10-8/h3,6-9H,1,4-5H2,2H3/t6-,7+,8-/m1/s1
InChIKeyYNNIFJDDRHKFOY-GJMOJQLCSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
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

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(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol
CID 162866456
1-[(2S,3R)-3-but-3-enyloxiran-2-yl]-2,2,2-trifluoroethane-1,1-diol
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[(2R,3R)-3-prop-2-enyloxiran-2-yl]methanol
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[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol
CID 11170943
(1S)-1-[(2S,3S)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 11789230
1-(3-Methyloxiranyl)-3-buten-1-ol
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((2S,3S)-3-allyloxiran-2-yl)methanol
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(3-Pent-4-enyloxiran-2-yl)methanol
CID 14017287
[3-(Hex-5-EN-1-YL)oxiran-2-YL]methanol
CID 14152344
[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
CID 141478985
(2R)-3-dec-9-enoxypropane-1,2-diol
CID 176452093

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol?
The IUPAC name of (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol (CID 130757707) is (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol?
The canonical SMILES for (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol is C=CCC[C@H](O)[C@@H]1O[C@@H]1C.
What is the InChIKey of (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol?
The InChIKey is YNNIFJDDRHKFOY-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-5-7(9)8-6(2)10-8/h3,6-9H,1,4-5H2,2H3/t6-,7+,8-/m1/s1.
What are the key properties of (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol?
(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3R)-3-methyloxiran-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 130757707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).