6-hydroperoxy-3,7-dimethyloct-7-en-1-ol

C10H20O3 — CID 11171459

IUPAC6-hydroperoxy-3,7-dimethyloct-7-en-1-ol
SMILESC=C(C)C(CCC(C)CCO)OO
InChIInChI=1S/C10H20O3/c1-8(2)10(13-12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3
InChIKeyBWRCWCXRMMREPA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.22
Rot. Bonds7

About 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol

6-hydroperoxy-3,7-dimethyloct-7-en-1-ol (PubChem CID 11171459) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol.

Molecular Properties

Compound Name6-hydroperoxy-3,7-dimethyloct-7-en-1-ol
PubChem CID11171459
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-hydroperoxy-3,7-dimethyloct-7-en-1-ol
SMILESC=C(C)C(CCC(C)CCO)OO
InChIInChI=1S/C10H20O3/c1-8(2)10(13-12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3
InChIKeyBWRCWCXRMMREPA-UHFFFAOYSA-N
XLogP2.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.22
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'}

Analyze 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol?
The IUPAC name of 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol (CID 11171459) is 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol.
What is the SMILES notation for 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol?
The canonical SMILES for 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol is C=C(C)C(CCC(C)CCO)OO.
What is the InChIKey of 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol?
The InChIKey is BWRCWCXRMMREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)10(13-12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3.
What are the key properties of 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol?
6-hydroperoxy-3,7-dimethyloct-7-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroperoxy-3,7-dimethyloct-7-en-1-ol is sourced from PubChem (CID 11171459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).