1-hydroperoxy-4,6-dimethylnonane

C11H24O2 — CID 23324423

IUPAC1-hydroperoxy-4,6-dimethylnonane
SMILESCCCC(C)CC(C)CCCOO
InChIInChI=1S/C11H24O2/c1-4-6-10(2)9-11(3)7-5-8-13-12/h10-12H,4-9H2,1-3H3
InChIKeyMSRBZKLTLWVQMW-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.72
Rot. Bonds8

About 1-hydroperoxy-4,6-dimethylnonane

1-hydroperoxy-4,6-dimethylnonane (PubChem CID 23324423) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-hydroperoxy-4,6-dimethylnonane.

Molecular Properties

Compound Name1-hydroperoxy-4,6-dimethylnonane
PubChem CID23324423
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-hydroperoxy-4,6-dimethylnonane
SMILESCCCC(C)CC(C)CCCOO
InChIInChI=1S/C11H24O2/c1-4-6-10(2)9-11(3)7-5-8-13-12/h10-12H,4-9H2,1-3H3
InChIKeyMSRBZKLTLWVQMW-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroperoxy-4,6-dimethylheptane
CID 23324453
4,6,8,10-tetramethyltridecan-1-ol
CID 172545129
(4R,6S)-4,6-dimethyldodecane
CID 162976966
3,9,11-trimethyltetradecane
CID 158626683
1-(2-methylpentoxy)ethanol
CID 173285010
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
4,11,14,16-tetramethylicosane
CID 123438722
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
5,7,10-trimethyltetradecane
CID 91033593
6,8-dimethylhexadecane
CID 91185725

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-4,6-dimethylnonane?
The IUPAC name of 1-hydroperoxy-4,6-dimethylnonane (CID 23324423) is 1-hydroperoxy-4,6-dimethylnonane.
What is the SMILES notation for 1-hydroperoxy-4,6-dimethylnonane?
The canonical SMILES for 1-hydroperoxy-4,6-dimethylnonane is CCCC(C)CC(C)CCCOO.
What is the InChIKey of 1-hydroperoxy-4,6-dimethylnonane?
The InChIKey is MSRBZKLTLWVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-6-10(2)9-11(3)7-5-8-13-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-hydroperoxy-4,6-dimethylnonane?
1-hydroperoxy-4,6-dimethylnonane has a molecular weight of 188.31 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-4,6-dimethylnonane is sourced from PubChem (CID 23324423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).