(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene

C10H18O2 — CID 173172590

IUPAC(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene
SMILESC/C=C(\C)C/C=C/C(C)(C)OO
InChIInChI=1S/C10H18O2/c1-5-9(2)7-6-8-10(3,4)12-11/h5-6,8,11H,7H2,1-4H3/b8-6+,9-5+
InChIKeyWYLADBOQEWFOFT-RFSWUZDDSA-N
MW170.25 g/mol
LogP3.17
Rot. Bonds4

About (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene

(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene (PubChem CID 173172590) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene
PubChem CID173172590
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene
SMILESC/C=C(\C)C/C=C/C(C)(C)OO
InChIInChI=1S/C10H18O2/c1-5-9(2)7-6-8-10(3,4)12-11/h5-6,8,11H,7H2,1-4H3/b8-6+,9-5+
InChIKeyWYLADBOQEWFOFT-RFSWUZDDSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': '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

(7-hydroperoxy-3,7-dimethylocta-2,5-dienyl) acetate
CID 162873197
7-chloro-3,7-dimethylocta-2,5-diene
CID 71389949
(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
CID 21079518
5-hydroperoxy-5-methylhex-3-en-2-one
CID 165357980
(2Z,7Z)-3,7-dimethylnona-2,4,7-triene
CID 143472362
N-[(1Z,4Z)-4-methylhexa-1,4-dienyl]methanimine
CID 143298314
(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
CID 52929830
[(3E)-2-methyl-6-methylideneocta-3,7-dien-2-yl] acetate
CID 12783294
3-methylundeca-2,5,7-triene
CID 56999548
9-chloro-3,3,7-trimethylnona-4,7-dienal
CID 71320784
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(5E)-2,5-dimethylhepta-2,5-diene
CID 12688397

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene?
The IUPAC name of (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene (CID 173172590) is (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene.
What is the SMILES notation for (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene?
The canonical SMILES for (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene is C/C=C(\C)C/C=C/C(C)(C)OO.
What is the InChIKey of (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene?
The InChIKey is WYLADBOQEWFOFT-RFSWUZDDSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(2)7-6-8-10(3,4)12-11/h5-6,8,11H,7H2,1-4H3/b8-6+,9-5+.
What are the key properties of (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene?
(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene has a molecular weight of 170.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene is sourced from PubChem (CID 173172590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).