prop-2-ynoxymethoxycycloundecane

C15H26O2 — CID 21496345

IUPACprop-2-ynoxymethoxycycloundecane
SMILESC#CCOCOC1CCCCCCCCCC1
InChIInChI=1S/C15H26O2/c1-2-13-16-14-17-15-11-9-7-5-3-4-6-8-10-12-15/h1,15H,3-14H2
InChIKeyLRLUDMBIMWPRRO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.89
Rot. Bonds4

About prop-2-ynoxymethoxycycloundecane

prop-2-ynoxymethoxycycloundecane (PubChem CID 21496345) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is prop-2-ynoxymethoxycycloundecane.

Molecular Properties

Compound Nameprop-2-ynoxymethoxycycloundecane
PubChem CID21496345
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameprop-2-ynoxymethoxycycloundecane
SMILESC#CCOCOC1CCCCCCCCCC1
InChIInChI=1S/C15H26O2/c1-2-13-16-14-17-15-11-9-7-5-3-4-6-8-10-12-15/h1,15H,3-14H2
InChIKeyLRLUDMBIMWPRRO-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.89
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynoxymethoxycycloundecane?
The IUPAC name of prop-2-ynoxymethoxycycloundecane (CID 21496345) is prop-2-ynoxymethoxycycloundecane.
What is the SMILES notation for prop-2-ynoxymethoxycycloundecane?
The canonical SMILES for prop-2-ynoxymethoxycycloundecane is C#CCOCOC1CCCCCCCCCC1.
What is the InChIKey of prop-2-ynoxymethoxycycloundecane?
The InChIKey is LRLUDMBIMWPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-13-16-14-17-15-11-9-7-5-3-4-6-8-10-12-15/h1,15H,3-14H2.
What are the key properties of prop-2-ynoxymethoxycycloundecane?
prop-2-ynoxymethoxycycloundecane has a molecular weight of 238.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynoxymethoxycycloundecane is sourced from PubChem (CID 21496345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).