2-(3,5-dimethoxycyclohexylidene)ethanol

C10H18O3 — CID 21344810

IUPAC2-(3,5-dimethoxycyclohexylidene)ethanol
SMILESCOC1CC(=CCO)CC(OC)C1
InChIInChI=1S/C10H18O3/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h3,9-11H,4-7H2,1-2H3
InChIKeyAFGPTICFNWLVSS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.12
Rot. Bonds3

About 2-(3,5-dimethoxycyclohexylidene)ethanol

2-(3,5-dimethoxycyclohexylidene)ethanol (PubChem CID 21344810) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3,5-dimethoxycyclohexylidene)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethoxycyclohexylidene)ethanol
PubChem CID21344810
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(3,5-dimethoxycyclohexylidene)ethanol
SMILESCOC1CC(=CCO)CC(OC)C1
InChIInChI=1S/C10H18O3/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h3,9-11H,4-7H2,1-2H3
InChIKeyAFGPTICFNWLVSS-UHFFFAOYSA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxycyclohexylidene)ethanol?
The IUPAC name of 2-(3,5-dimethoxycyclohexylidene)ethanol (CID 21344810) is 2-(3,5-dimethoxycyclohexylidene)ethanol.
What is the SMILES notation for 2-(3,5-dimethoxycyclohexylidene)ethanol?
The canonical SMILES for 2-(3,5-dimethoxycyclohexylidene)ethanol is COC1CC(=CCO)CC(OC)C1.
What is the InChIKey of 2-(3,5-dimethoxycyclohexylidene)ethanol?
The InChIKey is AFGPTICFNWLVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h3,9-11H,4-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxycyclohexylidene)ethanol?
2-(3,5-dimethoxycyclohexylidene)ethanol has a molecular weight of 186.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxycyclohexylidene)ethanol is sourced from PubChem (CID 21344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).