decane;2-hydroperoxy-2-methylpropane

C14H32O2 — CID 87118625

IUPACdecane;2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO.CCCCCCCCCC
InChIInChI=1S/C10H22.C4H10O2/c1-3-5-7-9-10-8-6-4-2;1-4(2,3)6-5/h3-10H2,1-2H3;5H,1-3H3
InChIKeyLMBZFORQYYGJTK-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.42
Rot. Bonds7

About decane;2-hydroperoxy-2-methylpropane

decane;2-hydroperoxy-2-methylpropane (PubChem CID 87118625) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is decane;2-hydroperoxy-2-methylpropane.

Molecular Properties

Compound Namedecane;2-hydroperoxy-2-methylpropane
PubChem CID87118625
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Namedecane;2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO.CCCCCCCCCC
InChIInChI=1S/C10H22.C4H10O2/c1-3-5-7-9-10-8-6-4-2;1-4(2,3)6-5/h3-10H2,1-2H3;5H,1-3H3
InChIKeyLMBZFORQYYGJTK-UHFFFAOYSA-N
XLogP5.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.42
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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Frequently Asked Questions

What is the IUPAC name of decane;2-hydroperoxy-2-methylpropane?
The IUPAC name of decane;2-hydroperoxy-2-methylpropane (CID 87118625) is decane;2-hydroperoxy-2-methylpropane.
What is the SMILES notation for decane;2-hydroperoxy-2-methylpropane?
The canonical SMILES for decane;2-hydroperoxy-2-methylpropane is CC(C)(C)OO.CCCCCCCCCC.
What is the InChIKey of decane;2-hydroperoxy-2-methylpropane?
The InChIKey is LMBZFORQYYGJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C4H10O2/c1-3-5-7-9-10-8-6-4-2;1-4(2,3)6-5/h3-10H2,1-2H3;5H,1-3H3.
What are the key properties of decane;2-hydroperoxy-2-methylpropane?
decane;2-hydroperoxy-2-methylpropane has a molecular weight of 232.41 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane;2-hydroperoxy-2-methylpropane is sourced from PubChem (CID 87118625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).