2-(2-methylpent-4-ynoxy)oxane

C11H18O2 — CID 143125735

IUPAC2-(2-methylpent-4-ynoxy)oxane
SMILESC#CCC(C)COC1CCCCO1
InChIInChI=1S/C11H18O2/c1-3-6-10(2)9-13-11-7-4-5-8-12-11/h1,10-11H,4-9H2,2H3
InChIKeyMDKSRUSRIYHCAX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.19
Rot. Bonds4

About 2-(2-methylpent-4-ynoxy)oxane

2-(2-methylpent-4-ynoxy)oxane (PubChem CID 143125735) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2-methylpent-4-ynoxy)oxane.

Molecular Properties

Compound Name2-(2-methylpent-4-ynoxy)oxane
PubChem CID143125735
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2-methylpent-4-ynoxy)oxane
SMILESC#CCC(C)COC1CCCCO1
InChIInChI=1S/C11H18O2/c1-3-6-10(2)9-13-11-7-4-5-8-12-11/h1,10-11H,4-9H2,2H3
InChIKeyMDKSRUSRIYHCAX-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
CID 140697805
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
2-[2-(4-prop-2-ynoxybutoxy)ethoxy]oxane
CID 170636909

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpent-4-ynoxy)oxane?
The IUPAC name of 2-(2-methylpent-4-ynoxy)oxane (CID 143125735) is 2-(2-methylpent-4-ynoxy)oxane.
What is the SMILES notation for 2-(2-methylpent-4-ynoxy)oxane?
The canonical SMILES for 2-(2-methylpent-4-ynoxy)oxane is C#CCC(C)COC1CCCCO1.
What is the InChIKey of 2-(2-methylpent-4-ynoxy)oxane?
The InChIKey is MDKSRUSRIYHCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-6-10(2)9-13-11-7-4-5-8-12-11/h1,10-11H,4-9H2,2H3.
What are the key properties of 2-(2-methylpent-4-ynoxy)oxane?
2-(2-methylpent-4-ynoxy)oxane has a molecular weight of 182.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpent-4-ynoxy)oxane is sourced from PubChem (CID 143125735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).