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

C10H18O3 — CID 11052349

IUPAC[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol
SMILESCCCCC[C@@H]1O[C@H]1[C@@H]1O[C@H]1CO
InChIInChI=1S/C10H18O3/c1-2-3-4-5-7-9(12-7)10-8(6-11)13-10/h7-11H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1
InChIKeyNFDFSRDYBWUZTA-AXTSPUMRSA-N
MW186.25 g/mol
LogP1.09
Rot. Bonds6

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

[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol (PubChem CID 11052349) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol
PubChem CID11052349
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol
SMILESCCCCC[C@@H]1O[C@H]1[C@@H]1O[C@H]1CO
InChIInChI=1S/C10H18O3/c1-2-3-4-5-7-9(12-7)10-8(6-11)13-10/h7-11H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1
InChIKeyNFDFSRDYBWUZTA-AXTSPUMRSA-N
XLogP1.09
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2R,3S)-3-pentyloxiran-2-yl]methanol
CID 11344086
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol
CID 139967945
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octyloxane-3,4,5-triol
CID 91217926
(3R,4R)-2-(hydroxymethyl)-6-tridecyloxane-3,4,5-triol
CID 158921249
2-heptadecyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73150554
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol (CID 11052349) is [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol is CCCCC[C@@H]1O[C@H]1[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol?
The InChIKey is NFDFSRDYBWUZTA-AXTSPUMRSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-7-9(12-7)10-8(6-11)13-10/h7-11H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol?
[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 11052349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).