(3E,5S)-5-hydroperoxydeca-1,3-diene

C10H18O2 — CID 14901528

IUPAC(3E,5S)-5-hydroperoxydeca-1,3-diene
SMILESC=C/C=C/[C@H](CCCCC)OO
InChIInChI=1S/C10H18O2/c1-3-5-7-9-10(12-11)8-6-4-2/h4,6,8,10-11H,2-3,5,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyVPGPLTUFZUFXBX-QEHWCHDUSA-N
MW170.25 g/mol
LogP3.17
Rot. Bonds7

About (3E,5S)-5-hydroperoxydeca-1,3-diene

(3E,5S)-5-hydroperoxydeca-1,3-diene (PubChem CID 14901528) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3E,5S)-5-hydroperoxydeca-1,3-diene.

Molecular Properties

Compound Name(3E,5S)-5-hydroperoxydeca-1,3-diene
PubChem CID14901528
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3E,5S)-5-hydroperoxydeca-1,3-diene
SMILESC=C/C=C/[C@H](CCCCC)OO
InChIInChI=1S/C10H18O2/c1-3-5-7-9-10(12-11)8-6-4-2/h4,6,8,10-11H,2-3,5,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyVPGPLTUFZUFXBX-QEHWCHDUSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

dodeca-1,3-dien-5-yl acetate
CID 90996679
10-hydroperoxydocosa-2,4,6,8-tetraenoic acid
CID 169110902
(9Z,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
CID 88541975
(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
CID 5280720
(10Z,12E)-9-hydroperoxyoctadeca-10,12-dienoic acid
CID 102326256
13-hydroperoxyoctadeca-9,11-dienoic acid
CID 1426
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
(5S,6E,8Z,11Z,13E,15R)-5-hydroperoxy-15-hydroxyicosa-6,8,11,13-tetraenoic acid
CID 138319273
methyl (13R)-13-hydroperoxyoctadeca-9,11-dienoate
CID 90890761
(5Z,9Z,11Z,13E)-8,15-dihydroperoxyicosa-5,9,11,13-tetraenoic acid
CID 5283181
(5E,8Z,11Z,13Z)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
CID 6440418
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane
CID 11696305

Frequently Asked Questions

What is the IUPAC name of (3E,5S)-5-hydroperoxydeca-1,3-diene?
The IUPAC name of (3E,5S)-5-hydroperoxydeca-1,3-diene (CID 14901528) is (3E,5S)-5-hydroperoxydeca-1,3-diene.
What is the SMILES notation for (3E,5S)-5-hydroperoxydeca-1,3-diene?
The canonical SMILES for (3E,5S)-5-hydroperoxydeca-1,3-diene is C=C/C=C/[C@H](CCCCC)OO.
What is the InChIKey of (3E,5S)-5-hydroperoxydeca-1,3-diene?
The InChIKey is VPGPLTUFZUFXBX-QEHWCHDUSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-7-9-10(12-11)8-6-4-2/h4,6,8,10-11H,2-3,5,7,9H2,1H3/b8-6+/t10-/m1/s1.
What are the key properties of (3E,5S)-5-hydroperoxydeca-1,3-diene?
(3E,5S)-5-hydroperoxydeca-1,3-diene has a molecular weight of 170.25 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S)-5-hydroperoxydeca-1,3-diene is sourced from PubChem (CID 14901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).