(3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol

C10H22O5 — CID 137446443

IUPAC(3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol
SMILESCC(C)CCC[C@@H](C)CC(O)(OO)OO
InChIInChI=1S/C10H22O5/c1-8(2)5-4-6-9(3)7-10(11,14-12)15-13/h8-9,11-13H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyCHADEUHKJFOEFU-SECBINFHSA-N
MW222.28 g/mol
LogP2.46
Rot. Bonds8

About (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol

(3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol (PubChem CID 137446443) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol.

Molecular Properties

Compound Name(3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol
PubChem CID137446443
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name(3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol
SMILESCC(C)CCC[C@@H](C)CC(O)(OO)OO
InChIInChI=1S/C10H22O5/c1-8(2)5-4-6-9(3)7-10(11,14-12)15-13/h8-9,11-13H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyCHADEUHKJFOEFU-SECBINFHSA-N
XLogP2.46
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol?
The IUPAC name of (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol (CID 137446443) is (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol.
What is the SMILES notation for (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol?
The canonical SMILES for (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol is CC(C)CCC[C@@H](C)CC(O)(OO)OO.
What is the InChIKey of (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol?
The InChIKey is CHADEUHKJFOEFU-SECBINFHSA-N. The full InChI is InChI=1S/C10H22O5/c1-8(2)5-4-6-9(3)7-10(11,14-12)15-13/h8-9,11-13H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol?
(3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dihydroperoxy-3,7-dimethyloctan-1-ol is sourced from PubChem (CID 137446443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).