(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane

C15H26O3 — CID 93475878

IUPAC(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
SMILESC/C(=C\CO[C@H]1CCCCO1)CC[C@H]1OC1(C)C
InChIInChI=1S/C15H26O3/c1-12(7-8-13-15(2,3)18-13)9-11-17-14-6-4-5-10-16-14/h9,13-14H,4-8,10-11H2,1-3H3/b12-9+/t13-,14+/m1/s1
InChIKeyFMBZWMIOKDYASM-NEKXEHSPSA-N
MW254.37 g/mol
LogP3.43
Rot. Bonds6

About (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane

(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane (PubChem CID 93475878) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane.

Molecular Properties

Compound Name(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
PubChem CID93475878
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
SMILESC/C(=C\CO[C@H]1CCCCO1)CC[C@H]1OC1(C)C
InChIInChI=1S/C15H26O3/c1-12(7-8-13-15(2,3)18-13)9-11-17-14-6-4-5-10-16-14/h9,13-14H,4-8,10-11H2,1-3H3/b12-9+/t13-,14+/m1/s1
InChIKeyFMBZWMIOKDYASM-NEKXEHSPSA-N
XLogP3.43
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
2-[(2E,6E)-3,7-dimethyl-8-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]octa-2,6-dienoxy]oxane
CID 23726956
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane
CID 134984060
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane?
The IUPAC name of (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane (CID 93475878) is (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane.
What is the SMILES notation for (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane?
The canonical SMILES for (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane is C/C(=C\CO[C@H]1CCCCO1)CC[C@H]1OC1(C)C.
What is the InChIKey of (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane?
The InChIKey is FMBZWMIOKDYASM-NEKXEHSPSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(7-8-13-15(2,3)18-13)9-11-17-14-6-4-5-10-16-14/h9,13-14H,4-8,10-11H2,1-3H3/b12-9+/t13-,14+/m1/s1.
What are the key properties of (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane?
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane has a molecular weight of 254.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane is sourced from PubChem (CID 93475878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).