1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane

C12H24O2 — CID 21363320

IUPAC1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane
SMILESCOC(C)OCC1CCC(C)CC1C
InChIInChI=1S/C12H24O2/c1-9-5-6-12(10(2)7-9)8-14-11(3)13-4/h9-12H,5-8H2,1-4H3
InChIKeyPRCOTWRHOVYGPK-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.07
Rot. Bonds4

About 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane

1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane (PubChem CID 21363320) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane.

Molecular Properties

Compound Name1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane
PubChem CID21363320
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane
SMILESCOC(C)OCC1CCC(C)CC1C
InChIInChI=1S/C12H24O2/c1-9-5-6-12(10(2)7-9)8-14-11(3)13-4/h9-12H,5-8H2,1-4H3
InChIKeyPRCOTWRHOVYGPK-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane?
The IUPAC name of 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane (CID 21363320) is 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane.
What is the SMILES notation for 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane?
The canonical SMILES for 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane is COC(C)OCC1CCC(C)CC1C.
What is the InChIKey of 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane?
The InChIKey is PRCOTWRHOVYGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9-5-6-12(10(2)7-9)8-14-11(3)13-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane?
1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethoxymethyl)-2,4-dimethylcyclohexane is sourced from PubChem (CID 21363320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).