4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane

C11H22O2 — CID 22750752

IUPAC4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane
SMILESCCC1CCC(OO)(C(C)C)CC1
InChIInChI=1S/C11H22O2/c1-4-10-5-7-11(13-12,8-6-10)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyWRFUOXRAGFNCEZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.47
Rot. Bonds3

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

4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane (PubChem CID 22750752) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane
PubChem CID22750752
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane
SMILESCCC1CCC(OO)(C(C)C)CC1
InChIInChI=1S/C11H22O2/c1-4-10-5-7-11(13-12,8-6-10)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyWRFUOXRAGFNCEZ-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.47
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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Related Compounds

4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
CID 130647227
(3-ethyl-1-propan-2-ylcyclopentyl)methanamine
CID 130515064
4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
CID 65395156
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 81094795
1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
CID 165495011
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane?
The IUPAC name of 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane (CID 22750752) is 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane is CCC1CCC(OO)(C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane?
The InChIKey is WRFUOXRAGFNCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-10-5-7-11(13-12,8-6-10)9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane?
4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane is sourced from PubChem (CID 22750752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).