1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane

C11H22O3 — CID 134928399

IUPAC1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane
SMILESCOC1(OO)CC(C(C)C)CCC1C
InChIInChI=1S/C11H22O3/c1-8(2)10-6-5-9(3)11(7-10,13-4)14-12/h8-10,12H,5-7H2,1-4H3
InChIKeyQXPDINDIAHCDRV-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.91
Rot. Bonds3

About 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane

1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane (PubChem CID 134928399) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane
PubChem CID134928399
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane
SMILESCOC1(OO)CC(C(C)C)CCC1C
InChIInChI=1S/C11H22O3/c1-8(2)10-6-5-9(3)11(7-10,13-4)14-12/h8-10,12H,5-7H2,1-4H3
InChIKeyQXPDINDIAHCDRV-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
CID 161061988
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
4-methyl-9-propan-2-yl-2-azaspiro[4.5]decan-6-ol
CID 165473147
propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
CID 167705554
(1S,4R,5R,8S)-4-hydroperoxy-1-methoxy-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonane
CID 101103848
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
4-propan-2-ylcyclohexan-1-ol
CID 159817143
(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
CID 124768360
(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
CID 7054193

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane?
The IUPAC name of 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane (CID 134928399) is 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane.
What is the SMILES notation for 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane?
The canonical SMILES for 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane is COC1(OO)CC(C(C)C)CCC1C.
What is the InChIKey of 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane?
The InChIKey is QXPDINDIAHCDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)10-6-5-9(3)11(7-10,13-4)14-12/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane?
1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane has a molecular weight of 202.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-methoxy-2-methyl-5-propan-2-ylcyclohexane is sourced from PubChem (CID 134928399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).