pent-1-enoxymethylcyclodecane

C16H30O — CID 173273161

IUPACpent-1-enoxymethylcyclodecane
SMILESCCCC=COCC1CCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-3-11-14-17-15-16-12-9-7-5-4-6-8-10-13-16/h11,14,16H,2-10,12-13,15H2,1H3
InChIKeyZTEGMRZRCIZQAW-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds5

About pent-1-enoxymethylcyclodecane

pent-1-enoxymethylcyclodecane (PubChem CID 173273161) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is pent-1-enoxymethylcyclodecane.

Molecular Properties

Compound Namepent-1-enoxymethylcyclodecane
PubChem CID173273161
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Namepent-1-enoxymethylcyclodecane
SMILESCCCC=COCC1CCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-3-11-14-17-15-16-12-9-7-5-4-6-8-10-13-16/h11,14,16H,2-10,12-13,15H2,1H3
InChIKeyZTEGMRZRCIZQAW-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 pent-1-enoxymethylcyclodecane?
The IUPAC name of pent-1-enoxymethylcyclodecane (CID 173273161) is pent-1-enoxymethylcyclodecane.
What is the SMILES notation for pent-1-enoxymethylcyclodecane?
The canonical SMILES for pent-1-enoxymethylcyclodecane is CCCC=COCC1CCCCCCCCC1.
What is the InChIKey of pent-1-enoxymethylcyclodecane?
The InChIKey is ZTEGMRZRCIZQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-11-14-17-15-16-12-9-7-5-4-6-8-10-13-16/h11,14,16H,2-10,12-13,15H2,1H3.
What are the key properties of pent-1-enoxymethylcyclodecane?
pent-1-enoxymethylcyclodecane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-enoxymethylcyclodecane is sourced from PubChem (CID 173273161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).