4-hydroperoxy-3,3,5-trimethylheptane

C10H22O2 — CID 20580325

IUPAC4-hydroperoxy-3,3,5-trimethylheptane
SMILESCCC(C)C(OO)C(C)(C)CC
InChIInChI=1S/C10H22O2/c1-6-8(3)9(12-11)10(4,5)7-2/h8-9,11H,6-7H2,1-5H3
InChIKeyZAMPGEWPXHDUCM-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.33
Rot. Bonds5

About 4-hydroperoxy-3,3,5-trimethylheptane

4-hydroperoxy-3,3,5-trimethylheptane (PubChem CID 20580325) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-hydroperoxy-3,3,5-trimethylheptane.

Molecular Properties

Compound Name4-hydroperoxy-3,3,5-trimethylheptane
PubChem CID20580325
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-hydroperoxy-3,3,5-trimethylheptane
SMILESCCC(C)C(OO)C(C)(C)CC
InChIInChI=1S/C10H22O2/c1-6-8(3)9(12-11)10(4,5)7-2/h8-9,11H,6-7H2,1-5H3
InChIKeyZAMPGEWPXHDUCM-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4-hydroperoxy-3,3,5-trimethylheptane?
The IUPAC name of 4-hydroperoxy-3,3,5-trimethylheptane (CID 20580325) is 4-hydroperoxy-3,3,5-trimethylheptane.
What is the SMILES notation for 4-hydroperoxy-3,3,5-trimethylheptane?
The canonical SMILES for 4-hydroperoxy-3,3,5-trimethylheptane is CCC(C)C(OO)C(C)(C)CC.
What is the InChIKey of 4-hydroperoxy-3,3,5-trimethylheptane?
The InChIKey is ZAMPGEWPXHDUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-8(3)9(12-11)10(4,5)7-2/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 4-hydroperoxy-3,3,5-trimethylheptane?
4-hydroperoxy-3,3,5-trimethylheptane has a molecular weight of 174.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-3,3,5-trimethylheptane is sourced from PubChem (CID 20580325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).