(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol

C13H24O2 — CID 16680391

IUPAC(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol
SMILESC=C[C@H](C)[C@H]1O[C@H]([C@H](C)CO)CC[C@@H]1C
InChIInChI=1S/C13H24O2/c1-5-9(2)13-10(3)6-7-12(15-13)11(4)8-14/h5,9-14H,1,6-8H2,2-4H3/t9-,10-,11+,12-,13+/m0/s1
InChIKeyIMNZRRNDEHSXJO-IEECTRCBSA-N
MW212.33 g/mol
LogP2.62
Rot. Bonds4

About (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol

(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol (PubChem CID 16680391) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol
PubChem CID16680391
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol
SMILESC=C[C@H](C)[C@H]1O[C@H]([C@H](C)CO)CC[C@@H]1C
InChIInChI=1S/C13H24O2/c1-5-9(2)13-10(3)6-7-12(15-13)11(4)8-14/h5,9-14H,1,6-8H2,2-4H3/t9-,10-,11+,12-,13+/m0/s1
InChIKeyIMNZRRNDEHSXJO-IEECTRCBSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol (CID 16680391) is (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol is C=C[C@H](C)[C@H]1O[C@H]([C@H](C)CO)CC[C@@H]1C.
What is the InChIKey of (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol?
The InChIKey is IMNZRRNDEHSXJO-IEECTRCBSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-9(2)13-10(3)6-7-12(15-13)11(4)8-14/h5,9-14H,1,6-8H2,2-4H3/t9-,10-,11+,12-,13+/m0/s1.
What are the key properties of (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol?
(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol is sourced from PubChem (CID 16680391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).