2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol

C12H24O2 — CID 59184443

IUPAC2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol
SMILESCC(OCCO)C1CCCC(C)(C)C1
InChIInChI=1S/C12H24O2/c1-10(14-8-7-13)11-5-4-6-12(2,3)9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyYZKCUPPXUCQPJR-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol

2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol (PubChem CID 59184443) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol
PubChem CID59184443
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol
SMILESCC(OCCO)C1CCCC(C)(C)C1
InChIInChI=1S/C12H24O2/c1-10(14-8-7-13)11-5-4-6-12(2,3)9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyYZKCUPPXUCQPJR-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol?
The IUPAC name of 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol (CID 59184443) is 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol?
The canonical SMILES for 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol is CC(OCCO)C1CCCC(C)(C)C1.
What is the InChIKey of 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol?
The InChIKey is YZKCUPPXUCQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(14-8-7-13)11-5-4-6-12(2,3)9-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol?
2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol is sourced from PubChem (CID 59184443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).