cyclohexylidene(methoxy)methanol

C8H14O2 — CID 13284212

IUPACcyclohexylidene(methoxy)methanol
SMILESCOC(O)=C1CCCCC1
InChIInChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h9H,2-6H2,1H3
InChIKeyJZQIWASQUSKLCG-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.37
Rot. Bonds1

About cyclohexylidene(methoxy)methanol

cyclohexylidene(methoxy)methanol (PubChem CID 13284212) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cyclohexylidene(methoxy)methanol.

Molecular Properties

Compound Namecyclohexylidene(methoxy)methanol
PubChem CID13284212
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecyclohexylidene(methoxy)methanol
SMILESCOC(O)=C1CCCCC1
InChIInChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h9H,2-6H2,1H3
InChIKeyJZQIWASQUSKLCG-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze cyclohexylidene(methoxy)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexylidene(methoxy)methanol?
The IUPAC name of cyclohexylidene(methoxy)methanol (CID 13284212) is cyclohexylidene(methoxy)methanol.
What is the SMILES notation for cyclohexylidene(methoxy)methanol?
The canonical SMILES for cyclohexylidene(methoxy)methanol is COC(O)=C1CCCCC1.
What is the InChIKey of cyclohexylidene(methoxy)methanol?
The InChIKey is JZQIWASQUSKLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h9H,2-6H2,1H3.
What are the key properties of cyclohexylidene(methoxy)methanol?
cyclohexylidene(methoxy)methanol has a molecular weight of 142.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene(methoxy)methanol is sourced from PubChem (CID 13284212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).