4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol

C10H16O2 — CID 170847709

IUPAC4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol
SMILESCCC1(C#CC(C)(C)O)OC1C
InChIInChI=1S/C10H16O2/c1-5-10(8(2)12-10)7-6-9(3,4)11/h8,11H,5H2,1-4H3
InChIKeyDYYVMRMNMRUPRX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.33
Rot. Bonds1

About 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol

4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol (PubChem CID 170847709) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol
PubChem CID170847709
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol
SMILESCCC1(C#CC(C)(C)O)OC1C
InChIInChI=1S/C10H16O2/c1-5-10(8(2)12-10)7-6-9(3,4)11/h8,11H,5H2,1-4H3
InChIKeyDYYVMRMNMRUPRX-UHFFFAOYSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Nonyn-3-ol, 6,7-epoxy-3-ethyl-6-propyl-
CID 90477852
2-Methyl-5-(oxiran-2-yl)pent-3-yn-2-ol
CID 12228209
4-[(2-Methylpropan-2-yl)oxy]hept-2-yn-1-ol
CID 139252347
4-(2,3-Dimethyloxiran-2-yl)-2-methylbut-3-yn-2-ol
CID 12210502
4-(2-Ethyloxiran-2-yl)-2-methylbut-3-yn-2-ol
CID 12816520
2-Methyl-4-(3-methyloxiran-2-yl)but-3-yn-2-ol
CID 131851682
4-(3-Ethyl-2-propyloxiran-2-yl)-2-methylbut-3-yn-2-ol
CID 170847578
4-[2-(3-Ethyl-2-propyloxiran-2-yl)ethynyl]heptan-4-ol
CID 170847580
3-Ethyl-1-(2-ethyl-3-methyloxiran-2-yl)pent-1-yn-3-ol
CID 170847710
4-[2-(2-Ethyl-3-methyloxiran-2-yl)ethynyl]heptan-4-ol
CID 170847711
4-(3-Ethyl-2-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol
CID 170847846
2-Methyl-4-(2-methyl-3-propan-2-yloxiran-2-yl)but-3-yn-2-ol
CID 170847847

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol (CID 170847709) is 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol is CCC1(C#CC(C)(C)O)OC1C.
What is the InChIKey of 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is DYYVMRMNMRUPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-10(8(2)12-10)7-6-9(3,4)11/h8,11H,5H2,1-4H3.
What are the key properties of 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol?
4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-methyloxiran-2-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 170847709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).