2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol

C12H24O2 — CID 175232857

IUPAC2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol
SMILESCC1CCC(C)(CCOCCO)CC1
InChIInChI=1S/C12H24O2/c1-11-3-5-12(2,6-4-11)7-9-14-10-8-13/h11,13H,3-10H2,1-2H3
InChIKeyFGGWHURVBGIRFO-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol

2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol (PubChem CID 175232857) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol
PubChem CID175232857
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol
SMILESCC1CCC(C)(CCOCCO)CC1
InChIInChI=1S/C12H24O2/c1-11-3-5-12(2,6-4-11)7-9-14-10-8-13/h11,13H,3-10H2,1-2H3
InChIKeyFGGWHURVBGIRFO-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol (CID 175232857) is 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol is CC1CCC(C)(CCOCCO)CC1.
What is the InChIKey of 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol?
The InChIKey is FGGWHURVBGIRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11-3-5-12(2,6-4-11)7-9-14-10-8-13/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol?
2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol is sourced from PubChem (CID 175232857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).