prop-2-enoxymethoxycycloundecane

C15H28O2 — CID 21496369

IUPACprop-2-enoxymethoxycycloundecane
SMILESC=CCOCOC1CCCCCCCCCC1
InChIInChI=1S/C15H28O2/c1-2-13-16-14-17-15-11-9-7-5-3-4-6-8-10-12-15/h2,15H,1,3-14H2
InChIKeyDLNBHEVWJHDEEA-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.45
Rot. Bonds5

About prop-2-enoxymethoxycycloundecane

prop-2-enoxymethoxycycloundecane (PubChem CID 21496369) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is prop-2-enoxymethoxycycloundecane.

Molecular Properties

Compound Nameprop-2-enoxymethoxycycloundecane
PubChem CID21496369
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameprop-2-enoxymethoxycycloundecane
SMILESC=CCOCOC1CCCCCCCCCC1
InChIInChI=1S/C15H28O2/c1-2-13-16-14-17-15-11-9-7-5-3-4-6-8-10-12-15/h2,15H,1,3-14H2
InChIKeyDLNBHEVWJHDEEA-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethoxycycloundecane?
The IUPAC name of prop-2-enoxymethoxycycloundecane (CID 21496369) is prop-2-enoxymethoxycycloundecane.
What is the SMILES notation for prop-2-enoxymethoxycycloundecane?
The canonical SMILES for prop-2-enoxymethoxycycloundecane is C=CCOCOC1CCCCCCCCCC1.
What is the InChIKey of prop-2-enoxymethoxycycloundecane?
The InChIKey is DLNBHEVWJHDEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-13-16-14-17-15-11-9-7-5-3-4-6-8-10-12-15/h2,15H,1,3-14H2.
What are the key properties of prop-2-enoxymethoxycycloundecane?
prop-2-enoxymethoxycycloundecane has a molecular weight of 240.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethoxycycloundecane is sourced from PubChem (CID 21496369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).