[(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol

C8H14O2 — CID 14017288

IUPAC[(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol
SMILESC=CCCC[C@H]1O[C@H]1CO
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h2,7-9H,1,3-6H2/t7-,8+/m1/s1
InChIKeyYCZNSWCVOLTLPB-SFYZADRCSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds5

About [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol

[(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol (PubChem CID 14017288) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol
PubChem CID14017288
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol
SMILESC=CCCC[C@H]1O[C@H]1CO
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h2,7-9H,1,3-6H2/t7-,8+/m1/s1
InChIKeyYCZNSWCVOLTLPB-SFYZADRCSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Oxiranemethanol, alpha-1,3-heptadiynyl-3-(6-heptenyl)-
CID 156010
(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
CID 135060551
Oxirane, [(10-undecenyloxy)methyl]-
CID 10353667
[(2R,3R)-3-prop-2-enyloxiran-2-yl]methanol
CID 10942386
[(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
((2S,3S)-3-allyloxiran-2-yl)methanol
CID 19093098
Dec-9-enyl glycidyl ether
CID 85768839
(3-Pent-4-enyloxiran-2-yl)methanol
CID 14017287
[3-(Hex-5-EN-1-YL)oxiran-2-YL]methanol
CID 14152344

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol (CID 14017288) is [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol is C=CCCC[C@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol?
The InChIKey is YCZNSWCVOLTLPB-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h2,7-9H,1,3-6H2/t7-,8+/m1/s1.
What are the key properties of [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol?
[(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-pent-4-enyloxiran-2-yl]methanol is sourced from PubChem (CID 14017288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).