(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne

C12H16O4 — CID 10176888

IUPAC(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne
SMILESCC(C)(C#C/C=C\C#CC(C)(C)OO)OO
InChIInChI=1S/C12H16O4/c1-11(2,15-13)9-7-5-6-8-10-12(3,4)16-14/h5-6,13-14H,1-4H3/b6-5-
InChIKeyKWFDUBDCUMZXFK-WAYWQWQTSA-N
MW224.26 g/mol
LogP2.09
Rot. Bonds2

About (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne

(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne (PubChem CID 10176888) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne.

Molecular Properties

Compound Name(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne
PubChem CID10176888
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne
SMILESCC(C)(C#C/C=C\C#CC(C)(C)OO)OO
InChIInChI=1S/C12H16O4/c1-11(2,15-13)9-7-5-6-8-10-12(3,4)16-14/h5-6,13-14H,1-4H3/b6-5-
InChIKeyKWFDUBDCUMZXFK-WAYWQWQTSA-N
XLogP2.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 134830649
2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne
CID 71332867
6-hydroperoxy-2,3,6-trimethylhept-4-yn-3-ol
CID 23264637
2,8-dihydroperoxy-2,8-dimethylnon-6-yn-4-ol
CID 88777125
2,6,9-trihydroperoxy-2,6,9-trimethyldec-3-yne
CID 88777785
[(E)-2-methyl-6-propylsulfanylhex-5-en-3-yn-2-yl] acetate
CID 12590176
(E)-7-ethylsulfanyl-3-methylhept-6-en-4-yn-3-ol
CID 12577049
2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
1,1-dichloro-1-hydroperoxyethane
CID 13297790
(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine
CID 131243522
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
CID 176988687

Frequently Asked Questions

What is the IUPAC name of (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne?
The IUPAC name of (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne (CID 10176888) is (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne.
What is the SMILES notation for (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne?
The canonical SMILES for (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne is CC(C)(C#C/C=C\C#CC(C)(C)OO)OO.
What is the InChIKey of (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne?
The InChIKey is KWFDUBDCUMZXFK-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H16O4/c1-11(2,15-13)9-7-5-6-8-10-12(3,4)16-14/h5-6,13-14H,1-4H3/b6-5-.
What are the key properties of (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne?
(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne has a molecular weight of 224.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne is sourced from PubChem (CID 10176888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).