prop-1-enoxymethylcyclododecane

C16H30O — CID 54007413

IUPACprop-1-enoxymethylcyclododecane
SMILESCC=COCC1CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-14-17-15-16-12-10-8-6-4-3-5-7-9-11-13-16/h2,14,16H,3-13,15H2,1H3
InChIKeyKPWHNLMDUZQXHL-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds3

About prop-1-enoxymethylcyclododecane

prop-1-enoxymethylcyclododecane (PubChem CID 54007413) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is prop-1-enoxymethylcyclododecane.

Molecular Properties

Compound Nameprop-1-enoxymethylcyclododecane
PubChem CID54007413
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Nameprop-1-enoxymethylcyclododecane
SMILESCC=COCC1CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-14-17-15-16-12-10-8-6-4-3-5-7-9-11-13-16/h2,14,16H,3-13,15H2,1H3
InChIKeyKPWHNLMDUZQXHL-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-enoxymethylcyclododecane?
The IUPAC name of prop-1-enoxymethylcyclododecane (CID 54007413) is prop-1-enoxymethylcyclododecane.
What is the SMILES notation for prop-1-enoxymethylcyclododecane?
The canonical SMILES for prop-1-enoxymethylcyclododecane is CC=COCC1CCCCCCCCCCC1.
What is the InChIKey of prop-1-enoxymethylcyclododecane?
The InChIKey is KPWHNLMDUZQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-14-17-15-16-12-10-8-6-4-3-5-7-9-11-13-16/h2,14,16H,3-13,15H2,1H3.
What are the key properties of prop-1-enoxymethylcyclododecane?
prop-1-enoxymethylcyclododecane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enoxymethylcyclododecane is sourced from PubChem (CID 54007413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).