cyclohexyl(dimethoxy)methanol

C9H18O3 — CID 12640479

IUPACcyclohexyl(dimethoxy)methanol
SMILESCOC(O)(OC)C1CCCCC1
InChIInChI=1S/C9H18O3/c1-11-9(10,12-2)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKeyBXTDBLDWVNUUBW-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.51
Rot. Bonds3

About cyclohexyl(dimethoxy)methanol

cyclohexyl(dimethoxy)methanol (PubChem CID 12640479) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is cyclohexyl(dimethoxy)methanol.

Molecular Properties

Compound Namecyclohexyl(dimethoxy)methanol
PubChem CID12640479
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namecyclohexyl(dimethoxy)methanol
SMILESCOC(O)(OC)C1CCCCC1
InChIInChI=1S/C9H18O3/c1-11-9(10,12-2)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKeyBXTDBLDWVNUUBW-UHFFFAOYSA-N
XLogP1.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 cyclohexyl(dimethoxy)methanol?
The IUPAC name of cyclohexyl(dimethoxy)methanol (CID 12640479) is cyclohexyl(dimethoxy)methanol.
What is the SMILES notation for cyclohexyl(dimethoxy)methanol?
The canonical SMILES for cyclohexyl(dimethoxy)methanol is COC(O)(OC)C1CCCCC1.
What is the InChIKey of cyclohexyl(dimethoxy)methanol?
The InChIKey is BXTDBLDWVNUUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-11-9(10,12-2)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3.
What are the key properties of cyclohexyl(dimethoxy)methanol?
cyclohexyl(dimethoxy)methanol has a molecular weight of 174.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(dimethoxy)methanol is sourced from PubChem (CID 12640479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).