[(2R,3S)-3-pentyloxiran-2-yl]methanol

C8H16O2 — CID 11344086

IUPAC[(2R,3S)-3-pentyloxiran-2-yl]methanol
SMILESCCCCC[C@@H]1O[C@@H]1CO
InChIInChI=1S/C8H16O2/c1-2-3-4-5-7-8(6-9)10-7/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyPFEZFCUFFWFUKS-JGVFFNPUSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds5

About [(2R,3S)-3-pentyloxiran-2-yl]methanol

[(2R,3S)-3-pentyloxiran-2-yl]methanol (PubChem CID 11344086) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is [(2R,3S)-3-pentyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-pentyloxiran-2-yl]methanol
PubChem CID11344086
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name[(2R,3S)-3-pentyloxiran-2-yl]methanol
SMILESCCCCC[C@@H]1O[C@@H]1CO
InChIInChI=1S/C8H16O2/c1-2-3-4-5-7-8(6-9)10-7/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyPFEZFCUFFWFUKS-JGVFFNPUSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.33
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,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
2-butyl-3-undecyloxirane
CID 88518775
[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol
CID 11052349
(3R,4R)-2-(hydroxymethyl)-6-tridecyloxane-3,4,5-triol
CID 158921249

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-pentyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-pentyloxiran-2-yl]methanol (CID 11344086) is [(2R,3S)-3-pentyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-pentyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-pentyloxiran-2-yl]methanol is CCCCC[C@@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-pentyloxiran-2-yl]methanol?
The InChIKey is PFEZFCUFFWFUKS-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-7-8(6-9)10-7/h7-9H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(2R,3S)-3-pentyloxiran-2-yl]methanol?
[(2R,3S)-3-pentyloxiran-2-yl]methanol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-pentyloxiran-2-yl]methanol is sourced from PubChem (CID 11344086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).