[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol

C16H24O3 — CID 11737155

IUPAC[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol
SMILESC=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@H]2O[C@@H]2CO)O1
InChIInChI=1S/C16H24O3/c1-4-5-13-6-11(2)7-14(18-13)8-12(3)9-15-16(10-17)19-15/h4,8,13-17H,1-2,5-7,9-10H2,3H3/b12-8+/t13-,14-,15+,16+/m0/s1
InChIKeyAUQAFUFAOCJABV-IKAVZUBFSA-N
MW264.37 g/mol
LogP2.76
Rot. Bonds6

About [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol

[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol (PubChem CID 11737155) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol
PubChem CID11737155
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol
SMILESC=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@H]2O[C@@H]2CO)O1
InChIInChI=1S/C16H24O3/c1-4-5-13-6-11(2)7-14(18-13)8-12(3)9-15-16(10-17)19-15/h4,8,13-17H,1-2,5-7,9-10H2,3H3/b12-8+/t13-,14-,15+,16+/m0/s1
InChIKeyAUQAFUFAOCJABV-IKAVZUBFSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol (CID 11737155) is [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol is C=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@H]2O[C@@H]2CO)O1.
What is the InChIKey of [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol?
The InChIKey is AUQAFUFAOCJABV-IKAVZUBFSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-5-13-6-11(2)7-14(18-13)8-12(3)9-15-16(10-17)19-15/h4,8,13-17H,1-2,5-7,9-10H2,3H3/b12-8+/t13-,14-,15+,16+/m0/s1.
What are the key properties of [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol?
[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol is sourced from PubChem (CID 11737155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).