[(2S)-2-octyloxiran-2-yl]methanol

C11H22O2 — CID 11041465

IUPAC[(2S)-2-octyloxiran-2-yl]methanol
SMILESCCCCCCCC[C@]1(CO)CO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h12H,2-10H2,1H3/t11-/m0/s1
InChIKeyOLZFIJVGQJJAOD-NSHDSACASA-N
MW186.29 g/mol
LogP2.50
Rot. Bonds8

About [(2S)-2-octyloxiran-2-yl]methanol

[(2S)-2-octyloxiran-2-yl]methanol (PubChem CID 11041465) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is [(2S)-2-octyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-octyloxiran-2-yl]methanol
PubChem CID11041465
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name[(2S)-2-octyloxiran-2-yl]methanol
SMILESCCCCCCCC[C@]1(CO)CO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h12H,2-10H2,1H3/t11-/m0/s1
InChIKeyOLZFIJVGQJJAOD-NSHDSACASA-N
XLogP2.50
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-tetradecyloxiran-2-yl]methanol
CID 11032940
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-hexyl-2-propyloxirane
CID 139691135
2-(chloromethyl)-2-heptyloxirane
CID 86123992
[5-(hydroxymethyl)-2,2-di(undecyl)-1,3-dioxan-5-yl]methanol
CID 10961485
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
[(3S)-3-heptyl-2H-1,4-benzodioxin-3-yl]methanol
CID 124674979
[(3R)-3-heptyl-2H-1,4-benzodioxin-3-yl]methanol
CID 124674980
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
2-hexadecyl-2-methyloxirane
CID 87444144

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-octyloxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-octyloxiran-2-yl]methanol (CID 11041465) is [(2S)-2-octyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-octyloxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-octyloxiran-2-yl]methanol is CCCCCCCC[C@]1(CO)CO1.
What is the InChIKey of [(2S)-2-octyloxiran-2-yl]methanol?
The InChIKey is OLZFIJVGQJJAOD-NSHDSACASA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h12H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-2-octyloxiran-2-yl]methanol?
[(2S)-2-octyloxiran-2-yl]methanol has a molecular weight of 186.29 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-octyloxiran-2-yl]methanol is sourced from PubChem (CID 11041465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).