[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol

C14H26O4 — CID 10400301

IUPAC[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
SMILESC[C@H](CC[C@@]1(CO)O[C@H]1C)COC1CCCCO1
InChIInChI=1S/C14H26O4/c1-11(6-7-14(10-15)12(2)18-14)9-17-13-5-3-4-8-16-13/h11-13,15H,3-10H2,1-2H3/t11-,12+,13?,14+/m1/s1
InChIKeyPEUUPECKKOLCEZ-UDRMKVCMSA-N
MW258.36 g/mol
LogP2.10
Rot. Bonds7

About [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol

[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol (PubChem CID 10400301) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
PubChem CID10400301
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
SMILESC[C@H](CC[C@@]1(CO)O[C@H]1C)COC1CCCCO1
InChIInChI=1S/C14H26O4/c1-11(6-7-14(10-15)12(2)18-14)9-17-13-5-3-4-8-16-13/h11-13,15H,3-10H2,1-2H3/t11-,12+,13?,14+/m1/s1
InChIKeyPEUUPECKKOLCEZ-UDRMKVCMSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
CID 140697805
(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
CID 10400448
(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
CID 130694780
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
(4S)-4-[(1R)-1-deuterioethyl]-4-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]-1,3-dioxolane-2-thione
CID 10447718

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol (CID 10400301) is [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol is C[C@H](CC[C@@]1(CO)O[C@H]1C)COC1CCCCO1.
What is the InChIKey of [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol?
The InChIKey is PEUUPECKKOLCEZ-UDRMKVCMSA-N. The full InChI is InChI=1S/C14H26O4/c1-11(6-7-14(10-15)12(2)18-14)9-17-13-5-3-4-8-16-13/h11-13,15H,3-10H2,1-2H3/t11-,12+,13?,14+/m1/s1.
What are the key properties of [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol?
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol has a molecular weight of 258.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol is sourced from PubChem (CID 10400301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).