1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane

C12H24O2 — CID 71234321

IUPAC1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane
SMILESCOCCOC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24O2/c1-10(2)11-4-6-12(7-5-11)14-9-8-13-3/h10-12H,4-9H2,1-3H3
InChIKeyVBFZFHOZZLORJA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane

1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane (PubChem CID 71234321) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane
PubChem CID71234321
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane
SMILESCOCCOC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24O2/c1-10(2)11-4-6-12(7-5-11)14-9-8-13-3/h10-12H,4-9H2,1-3H3
InChIKeyVBFZFHOZZLORJA-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane (CID 71234321) is 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane is COCCOC1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
The InChIKey is VBFZFHOZZLORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)11-4-6-12(7-5-11)14-9-8-13-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane?
1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 71234321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).