[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol

C8H14O2 — CID 141478985

IUPAC[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
SMILESCC/C=C\C[C@@H]1O[C@@H]1CO
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h3-4,7-9H,2,5-6H2,1H3/b4-3-/t7-,8+/m0/s1
InChIKeyVDIXFQKCYZMKAY-UIPXTHJYSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds4

About [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol

[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol (PubChem CID 141478985) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
PubChem CID141478985
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
SMILESCC/C=C\C[C@@H]1O[C@@H]1CO
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h3-4,7-9H,2,5-6H2,1H3/b4-3-/t7-,8+/m0/s1
InChIKeyVDIXFQKCYZMKAY-UIPXTHJYSA-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

Noladin Ether
CID 6483057
3-[((8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propane-1,2-diol
CID 44243138
3-Icosa-5,8,11,14-tetraenoxypropane-1,2-diol
CID 49824024
2-AG ether;2-Arachidonylglyceryl ether;HU 310
CID 53394295
[(2R,3R)-3-prop-2-enyloxiran-2-yl]methanol
CID 10942386
1-(Oxiran-2-yl)but-3-en-1-ol
CID 11126217
[(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
CID 13212847
(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 14906715
((2S,3S)-3-allyloxiran-2-yl)methanol
CID 19093098
(1S)-1-[(2R,3R)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 10909593

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol (CID 141478985) is [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol is CC/C=C\C[C@@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol?
The InChIKey is VDIXFQKCYZMKAY-UIPXTHJYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h3-4,7-9H,2,5-6H2,1H3/b4-3-/t7-,8+/m0/s1.
What are the key properties of [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol?
[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol 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 [(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol is sourced from PubChem (CID 141478985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).