2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol

C10H18O5 — CID 102244912

IUPAC2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol
SMILESC=C(C)C(CCC(=C)C(CO)OO)OO
InChIInChI=1S/C10H18O5/c1-7(2)9(14-12)5-4-8(3)10(6-11)15-13/h9-13H,1,3-6H2,2H3
InChIKeyHPRDCUBLLAYXFZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.61
Rot. Bonds8

About 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol

2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol (PubChem CID 102244912) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol.

Molecular Properties

Compound Name2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol
PubChem CID102244912
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol
SMILESC=C(C)C(CCC(=C)C(CO)OO)OO
InChIInChI=1S/C10H18O5/c1-7(2)9(14-12)5-4-8(3)10(6-11)15-13/h9-13H,1,3-6H2,2H3
InChIKeyHPRDCUBLLAYXFZ-UHFFFAOYSA-N
XLogP1.61
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol
CID 76711660
3-hydroperoxy-2-methylhex-1-ene
CID 12949710
5-hydroperoxy-6-methylhept-6-en-2-ol
CID 58114812
(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
CID 52929831
(3-hydroperoxy-4-methylpent-4-enoxy)-methyl-oxophosphanium
CID 58445532
2-(3-methylbut-3-enyl)propane-1,3-diol
CID 140988004
3-methoxy-2-methylhex-1-ene
CID 123417422
4-[6-hydroperoxy-3-(hydroxymethyl)-7-methylocta-2,7-dienoxy]-5-methylchromen-2-one
CID 162903063
4-[(2Z,6S)-6-hydroperoxy-3-(hydroxymethyl)-7-methylocta-2,7-dienoxy]-5-methylchromen-2-one
CID 163186576
(3S,4S)-3-hydroperoxy-2-methylhept-1-en-4-ol
CID 101416470
[(2-Methylhept-1-en-3-yl)oxy]di(propan-2-yl)silane
CID 78061225
7-(6-hydroperoxy-3,7-dimethylocta-2,7-dienoxy)-8-methoxychromen-2-one
CID 162990944

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol?
The IUPAC name of 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol (CID 102244912) is 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol.
What is the SMILES notation for 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol?
The canonical SMILES for 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol is C=C(C)C(CCC(=C)C(CO)OO)OO.
What is the InChIKey of 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol?
The InChIKey is HPRDCUBLLAYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(2)9(14-12)5-4-8(3)10(6-11)15-13/h9-13H,1,3-6H2,2H3.
What are the key properties of 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol?
2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol has a molecular weight of 218.25 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol is sourced from PubChem (CID 102244912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).