[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol

C9H16O2 — CID 134880986

IUPAC[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
SMILESCC/C=C/CC[C@H]1O[C@H]1CO
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h3-4,8-10H,2,5-7H2,1H3/b4-3+/t8-,9+/m1/s1
InChIKeyMQDJFUJCJSWIEY-BKIAHZASSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds5

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

[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol (PubChem CID 134880986) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
PubChem CID134880986
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
SMILESCC/C=C/CC[C@H]1O[C@H]1CO
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h3-4,8-10H,2,5-7H2,1H3/b4-3+/t8-,9+/m1/s1
InChIKeyMQDJFUJCJSWIEY-BKIAHZASSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
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

Selachyl alcohol
CID 5282282
Noladin Ether
CID 6483057
Diglycerol, monoether with 9-octadecen-1-ol
CID 6437995
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
3-[((8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propane-1,2-diol
CID 44243138
2-O-(9-Octadecenyl)glycerol
CID 10783536
1-O-(9Z-octadecenyl)-sn-glycerol
CID 53242580
2-[((Z)-Docos-13-enyl)oxy]-propane-1,3-diol
CID 44360582
2-[((Z)-Octadeca-9,12-dienyl)oxy]-propane-1,3-diol
CID 44360595
3-[(E)-octadec-9-enoxy]propane-1,2-diol
CID 5351510
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol (CID 134880986) is [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol is CC/C=C/CC[C@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol?
The InChIKey is MQDJFUJCJSWIEY-BKIAHZASSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h3-4,8-10H,2,5-7H2,1H3/b4-3+/t8-,9+/m1/s1.
What are the key properties of [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol?
[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol is sourced from PubChem (CID 134880986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).