(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol

C15H24O2 — CID 57007885

IUPAC(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol
SMILESCCCC=CC=CC=C(C)[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-10-13(2)15-14(16)11-9-12-17-15/h5-8,10,14-16H,3-4,9,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyAPJLBGCPJFOCDU-CABCVRRESA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds5

About (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol

(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol (PubChem CID 57007885) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol
PubChem CID57007885
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol
SMILESCCCC=CC=CC=C(C)[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-10-13(2)15-14(16)11-9-12-17-15/h5-8,10,14-16H,3-4,9,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyAPJLBGCPJFOCDU-CABCVRRESA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10107729
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CID 6451387
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxan-3-ol
CID 88485921
Desmethylrestrictinol
CID 163007352
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CID 44397596
(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151
Pestalotiopsol A
CID 139588206
(12R,13R)-dihydroxylanomycinol
CID 156581483
(12S,13S)-dihydroxylanomycinol
CID 156581484
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CID 156581485

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol?
The IUPAC name of (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol (CID 57007885) is (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol.
What is the SMILES notation for (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol?
The canonical SMILES for (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol is CCCC=CC=CC=C(C)[C@@H]1OCCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol?
The InChIKey is APJLBGCPJFOCDU-CABCVRRESA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-8-10-13(2)15-14(16)11-9-12-17-15/h5-8,10,14-16H,3-4,9,11-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol?
(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol has a molecular weight of 236.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol is sourced from PubChem (CID 57007885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).