5-hydroperoxy-6-methylhept-6-en-2-ol

C8H16O3 — CID 58114812

IUPAC5-hydroperoxy-6-methylhept-6-en-2-ol
SMILESC=C(C)C(CCC(C)O)OO
InChIInChI=1S/C8H16O3/c1-6(2)8(11-10)5-4-7(3)9/h7-10H,1,4-5H2,2-3H3
InChIKeyUNSWGVWAOQNKPB-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.58
Rot. Bonds5

About 5-hydroperoxy-6-methylhept-6-en-2-ol

5-hydroperoxy-6-methylhept-6-en-2-ol (PubChem CID 58114812) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-hydroperoxy-6-methylhept-6-en-2-ol.

Molecular Properties

Compound Name5-hydroperoxy-6-methylhept-6-en-2-ol
PubChem CID58114812
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-hydroperoxy-6-methylhept-6-en-2-ol
SMILESC=C(C)C(CCC(C)O)OO
InChIInChI=1S/C8H16O3/c1-6(2)8(11-10)5-4-7(3)9/h7-10H,1,4-5H2,2-3H3
InChIKeyUNSWGVWAOQNKPB-UHFFFAOYSA-N
XLogP1.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-hydroperoxy-6-methylhept-6-en-2-ol?
The IUPAC name of 5-hydroperoxy-6-methylhept-6-en-2-ol (CID 58114812) is 5-hydroperoxy-6-methylhept-6-en-2-ol.
What is the SMILES notation for 5-hydroperoxy-6-methylhept-6-en-2-ol?
The canonical SMILES for 5-hydroperoxy-6-methylhept-6-en-2-ol is C=C(C)C(CCC(C)O)OO.
What is the InChIKey of 5-hydroperoxy-6-methylhept-6-en-2-ol?
The InChIKey is UNSWGVWAOQNKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)8(11-10)5-4-7(3)9/h7-10H,1,4-5H2,2-3H3.
What are the key properties of 5-hydroperoxy-6-methylhept-6-en-2-ol?
5-hydroperoxy-6-methylhept-6-en-2-ol has a molecular weight of 160.21 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroperoxy-6-methylhept-6-en-2-ol is sourced from PubChem (CID 58114812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).