2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane

C12H18O2 — CID 10313514

IUPAC2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane
SMILESCC(C)(C#CC1CC1)OC1CCCO1
InChIInChI=1S/C12H18O2/c1-12(2,8-7-10-5-6-10)14-11-4-3-9-13-11/h10-11H,3-6,9H2,1-2H3
InChIKeyYMSQUTBZGUJVAD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.33
Rot. Bonds2

About 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane

2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane (PubChem CID 10313514) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane
PubChem CID10313514
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane
SMILESCC(C)(C#CC1CC1)OC1CCCO1
InChIInChI=1S/C12H18O2/c1-12(2,8-7-10-5-6-10)14-11-4-3-9-13-11/h10-11H,3-6,9H2,1-2H3
InChIKeyYMSQUTBZGUJVAD-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.33
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-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-[4-[3-(methoxymethyl)phenyl]-2-methylbut-3-yn-2-yl]oxyoxane
CID 167135359
(2S,3R)-3-chloro-2-[(2-methylpropan-2-yl)oxy]oxane
CID 71399470
2-methoxy-2-methylpropane;2-methyloxolane
CID 67153137
2-methoxyoxepane
CID 24974084
2-methoxypropan-2-amine;oxolan-2-ylmethanamine
CID 143615334
2-(3-methyl-2,3-dinitrobutan-2-yl)oxyoxane
CID 134985531
2-(oxolan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 169009570
oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125
2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
CID 167254183
2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
CID 19088341
methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane?
The IUPAC name of 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane (CID 10313514) is 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane.
What is the SMILES notation for 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane?
The canonical SMILES for 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane is CC(C)(C#CC1CC1)OC1CCCO1.
What is the InChIKey of 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane?
The InChIKey is YMSQUTBZGUJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,8-7-10-5-6-10)14-11-4-3-9-13-11/h10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane?
2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane has a molecular weight of 194.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane is sourced from PubChem (CID 10313514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).