1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane

C10H20O2 — CID 19867397

IUPAC1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(OO)CC1
InChIInChI=1S/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKeySGYLMBSLEMLUSN-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.08
Rot. Bonds2

About 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane

1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane (PubChem CID 19867397) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane
PubChem CID19867397
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(OO)CC1
InChIInChI=1S/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKeySGYLMBSLEMLUSN-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.08
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 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane (CID 19867397) is 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane is CC(C)C1CCC(C)(OO)CC1.
What is the InChIKey of 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is SGYLMBSLEMLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane?
1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 19867397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).