2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane

C14H20O3 — CID 138985035

IUPAC2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane
SMILESC#CCOC1CCC=C1COC1CCCCO1
InChIInChI=1S/C14H20O3/c1-2-9-15-13-7-5-6-12(13)11-17-14-8-3-4-10-16-14/h1,6,13-14H,3-5,7-11H2
InChIKeyVEXOZYZIVWNDHA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.27
Rot. Bonds5

About 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane

2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane (PubChem CID 138985035) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane
PubChem CID138985035
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane
SMILESC#CCOC1CCC=C1COC1CCCCO1
InChIInChI=1S/C14H20O3/c1-2-9-15-13-7-5-6-12(13)11-17-14-8-3-4-10-16-14/h1,6,13-14H,3-5,7-11H2
InChIKeyVEXOZYZIVWNDHA-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
2-[(E)-3-methylhept-2-en-6-ynoxy]oxane
CID 135041902
2-(Oxan-2-yloxymethyl)cyclopent-2-en-1-ol
CID 138985034
2-{[(2Z)-2-(2-methylpropylidene)cyclohexyl]oxy}tetrahydro-2H-pyran
CID 16409720
(E)-5,7,7-triethoxy-4-methylhept-3-en-1-yne
CID 21556860
(2S)-2-(2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl)oxyoxane
CID 53918776
5,7,7-Triethoxy-4-methylhept-3-en-1-yne
CID 53938239
2-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxyoxane
CID 88391862
2-(2-Methylcyclopent-2-en-1-yl)oxyoxane
CID 123676499
(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane
CID 738466
2-[2-(2-Methylpropylidene)cyclohexyl]oxyoxane
CID 3712193
(2S)-2-[(1S,2Z)-2-(2-methylpropylidene)cyclohexyl]oxyoxane
CID 5597881

Frequently Asked Questions

What is the IUPAC name of 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane?
The IUPAC name of 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane (CID 138985035) is 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane.
What is the SMILES notation for 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane?
The canonical SMILES for 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane is C#CCOC1CCC=C1COC1CCCCO1.
What is the InChIKey of 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane?
The InChIKey is VEXOZYZIVWNDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-9-15-13-7-5-6-12(13)11-17-14-8-3-4-10-16-14/h1,6,13-14H,3-5,7-11H2.
What are the key properties of 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane?
2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane has a molecular weight of 236.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-prop-2-ynoxycyclopenten-1-yl)methoxy]oxane is sourced from PubChem (CID 138985035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).