2-(3-prop-2-ynoxypropoxy)oxane

C11H18O3 — CID 14141844

IUPAC2-(3-prop-2-ynoxypropoxy)oxane
SMILESC#CCOCCCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-7-12-8-5-10-14-11-6-3-4-9-13-11/h1,11H,3-10H2
InChIKeySJLPMHZDMILXRH-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.57
Rot. Bonds6

About 2-(3-prop-2-ynoxypropoxy)oxane

2-(3-prop-2-ynoxypropoxy)oxane (PubChem CID 14141844) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(3-prop-2-ynoxypropoxy)oxane.

Molecular Properties

Compound Name2-(3-prop-2-ynoxypropoxy)oxane
PubChem CID14141844
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(3-prop-2-ynoxypropoxy)oxane
SMILESC#CCOCCCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-7-12-8-5-10-14-11-6-3-4-9-13-11/h1,11H,3-10H2
InChIKeySJLPMHZDMILXRH-UHFFFAOYSA-N
XLogP1.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-prop-2-ynoxybutoxy)ethoxy]oxane
CID 170636909
2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane
CID 154684235
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(12-bromododecoxy)oxane
CID 11078592
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(18-iodooctadecoxy)oxane
CID 86124950
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-ynoxypropoxy)oxane?
The IUPAC name of 2-(3-prop-2-ynoxypropoxy)oxane (CID 14141844) is 2-(3-prop-2-ynoxypropoxy)oxane.
What is the SMILES notation for 2-(3-prop-2-ynoxypropoxy)oxane?
The canonical SMILES for 2-(3-prop-2-ynoxypropoxy)oxane is C#CCOCCCOC1CCCCO1.
What is the InChIKey of 2-(3-prop-2-ynoxypropoxy)oxane?
The InChIKey is SJLPMHZDMILXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-7-12-8-5-10-14-11-6-3-4-9-13-11/h1,11H,3-10H2.
What are the key properties of 2-(3-prop-2-ynoxypropoxy)oxane?
2-(3-prop-2-ynoxypropoxy)oxane has a molecular weight of 198.26 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-ynoxypropoxy)oxane is sourced from PubChem (CID 14141844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).