1-cyclohexyl-1-methoxyethanol

C9H18O2 — CID 54200630

IUPAC1-cyclohexyl-1-methoxyethanol
SMILESCOC(C)(O)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-9(10,11-2)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKeyUBXGNPVZBIOTID-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds2

About 1-cyclohexyl-1-methoxyethanol

1-cyclohexyl-1-methoxyethanol (PubChem CID 54200630) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxyethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxyethanol
PubChem CID54200630
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-cyclohexyl-1-methoxyethanol
SMILESCOC(C)(O)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-9(10,11-2)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKeyUBXGNPVZBIOTID-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
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-cyclohexyl-1-methoxyethanol?
The IUPAC name of 1-cyclohexyl-1-methoxyethanol (CID 54200630) is 1-cyclohexyl-1-methoxyethanol.
What is the SMILES notation for 1-cyclohexyl-1-methoxyethanol?
The canonical SMILES for 1-cyclohexyl-1-methoxyethanol is COC(C)(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxyethanol?
The InChIKey is UBXGNPVZBIOTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(10,11-2)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-methoxyethanol?
1-cyclohexyl-1-methoxyethanol has a molecular weight of 158.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxyethanol is sourced from PubChem (CID 54200630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).