2-cyclohexyl-2-methoxyethanol

C9H18O2 — CID 105431045

IUPAC2-cyclohexyl-2-methoxyethanol
SMILESCOC(CO)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-11-9(7-10)8-5-3-2-4-6-8/h8-10H,2-7H2,1H3
InChIKeyLNALEAXSEZHKAD-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds3

About 2-cyclohexyl-2-methoxyethanol

2-cyclohexyl-2-methoxyethanol (PubChem CID 105431045) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxyethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxyethanol
PubChem CID105431045
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-cyclohexyl-2-methoxyethanol
SMILESCOC(CO)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-11-9(7-10)8-5-3-2-4-6-8/h8-10H,2-7H2,1H3
InChIKeyLNALEAXSEZHKAD-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxyethanol?
The IUPAC name of 2-cyclohexyl-2-methoxyethanol (CID 105431045) is 2-cyclohexyl-2-methoxyethanol.
What is the SMILES notation for 2-cyclohexyl-2-methoxyethanol?
The canonical SMILES for 2-cyclohexyl-2-methoxyethanol is COC(CO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxyethanol?
The InChIKey is LNALEAXSEZHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-11-9(7-10)8-5-3-2-4-6-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxyethanol?
2-cyclohexyl-2-methoxyethanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxyethanol is sourced from PubChem (CID 105431045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).