3-ethynyl-2,2-dipentyloxirane

C14H24O — CID 135050307

IUPAC3-ethynyl-2,2-dipentyloxirane
SMILESC#CC1OC1(CCCCC)CCCCC
InChIInChI=1S/C14H24O/c1-4-7-9-11-14(12-10-8-5-2)13(6-3)15-14/h3,13H,4-5,7-12H2,1-2H3
InChIKeyRYSGCRYURSYTNF-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.92
Rot. Bonds8

About 3-ethynyl-2,2-dipentyloxirane

3-ethynyl-2,2-dipentyloxirane (PubChem CID 135050307) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-ethynyl-2,2-dipentyloxirane.

Molecular Properties

Compound Name3-ethynyl-2,2-dipentyloxirane
PubChem CID135050307
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-ethynyl-2,2-dipentyloxirane
SMILESC#CC1OC1(CCCCC)CCCCC
InChIInChI=1S/C14H24O/c1-4-7-9-11-14(12-10-8-5-2)13(6-3)15-14/h3,13H,4-5,7-12H2,1-2H3
InChIKeyRYSGCRYURSYTNF-UHFFFAOYSA-N
XLogP3.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne
CID 73120919
2-(1-Heptynyl)-1-oxaspiro(2.5)octane
CID 327313
2-Ethyl-2-pentyloxirane
CID 21631842
(3R)-3-decyl-2,2-dimethyloxirane
CID 54190941
Diethyl-n-hexane ether
CID 129719849
2-(5-Methoxypentyl)-2,3-dimethyloxirane
CID 118884900
2-Butyl-1-oxaspiro[2.5]octane
CID 10877532
2-Hex-5-ynyl-2-methyloxirane
CID 11094696
2-Ethynyl-1-oxaspiro[2.5]octane
CID 11105417
(+/-)-2-Methyl-2,3-epoxynonane
CID 11309647
5-Methoxy-5-methyl-1,3-undecadiyne
CID 12416270
(2R,3R)-3-butyl-2-methyl-2-pentyloxirane
CID 12536839

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2,2-dipentyloxirane?
The IUPAC name of 3-ethynyl-2,2-dipentyloxirane (CID 135050307) is 3-ethynyl-2,2-dipentyloxirane.
What is the SMILES notation for 3-ethynyl-2,2-dipentyloxirane?
The canonical SMILES for 3-ethynyl-2,2-dipentyloxirane is C#CC1OC1(CCCCC)CCCCC.
What is the InChIKey of 3-ethynyl-2,2-dipentyloxirane?
The InChIKey is RYSGCRYURSYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-7-9-11-14(12-10-8-5-2)13(6-3)15-14/h3,13H,4-5,7-12H2,1-2H3.
What are the key properties of 3-ethynyl-2,2-dipentyloxirane?
3-ethynyl-2,2-dipentyloxirane has a molecular weight of 208.34 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2,2-dipentyloxirane is sourced from PubChem (CID 135050307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).