cyclododecylmethanol;1,1-dimethoxycyclododecane

C27H54O3 — CID 66734139

IUPACcyclododecylmethanol;1,1-dimethoxycyclododecane
SMILESCOC1(OC)CCCCCCCCCCC1.OCC1CCCCCCCCCCC1
InChIInChI=1S/C14H28O2.C13H26O/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14;14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h3-13H2,1-2H3;13-14H,1-12H2
InChIKeyUESYBBCFUSIXFQ-UHFFFAOYSA-N
MW426.73 g/mol
LogP8.18
Rot. Bonds3

About cyclododecylmethanol;1,1-dimethoxycyclododecane

cyclododecylmethanol;1,1-dimethoxycyclododecane (PubChem CID 66734139) has the molecular formula C27H54O3 and a molecular weight of 426.73 g/mol. Its IUPAC name is cyclododecylmethanol;1,1-dimethoxycyclododecane.

Molecular Properties

Compound Namecyclododecylmethanol;1,1-dimethoxycyclododecane
PubChem CID66734139
Molecular FormulaC27H54O3
Molecular Weight426.73 g/mol
Exact Mass426.41
IUPAC Namecyclododecylmethanol;1,1-dimethoxycyclododecane
SMILESCOC1(OC)CCCCCCCCCCC1.OCC1CCCCCCCCCCC1
InChIInChI=1S/C14H28O2.C13H26O/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14;14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h3-13H2,1-2H3;13-14H,1-12H2
InChIKeyUESYBBCFUSIXFQ-UHFFFAOYSA-N
XLogP8.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclododecylmethanol;1,1-dimethoxycyclododecane 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 cyclododecylmethanol;1,1-dimethoxycyclododecane?
The IUPAC name of cyclododecylmethanol;1,1-dimethoxycyclododecane (CID 66734139) is cyclododecylmethanol;1,1-dimethoxycyclododecane.
What is the SMILES notation for cyclododecylmethanol;1,1-dimethoxycyclododecane?
The canonical SMILES for cyclododecylmethanol;1,1-dimethoxycyclododecane is COC1(OC)CCCCCCCCCCC1.OCC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecylmethanol;1,1-dimethoxycyclododecane?
The InChIKey is UESYBBCFUSIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C13H26O/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14;14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h3-13H2,1-2H3;13-14H,1-12H2.
What are the key properties of cyclododecylmethanol;1,1-dimethoxycyclododecane?
cyclododecylmethanol;1,1-dimethoxycyclododecane has a molecular weight of 426.73 g/mol, XLogP of 8.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecylmethanol;1,1-dimethoxycyclododecane is sourced from PubChem (CID 66734139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).