2-heptyl-3-penta-2,4-diynyloxirane

C14H20O — CID 73120919

IUPAC2-heptyl-3-penta-2,4-diynyloxirane
SMILESC#CC#CCC1OC1CCCCCCC
InChIInChI=1S/C14H20O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2,13-14H,3,5,7-8,10-12H2,1H3
InChIKeyCRSUKNCTBDUAQP-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.14
Rot. Bonds7

About 2-heptyl-3-penta-2,4-diynyloxirane

2-heptyl-3-penta-2,4-diynyloxirane (PubChem CID 73120919) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-heptyl-3-penta-2,4-diynyloxirane.

Molecular Properties

Compound Name2-heptyl-3-penta-2,4-diynyloxirane
PubChem CID73120919
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-heptyl-3-penta-2,4-diynyloxirane
SMILESC#CC#CCC1OC1CCCCCCC
InChIInChI=1S/C14H20O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2,13-14H,3,5,7-8,10-12H2,1H3
InChIKeyCRSUKNCTBDUAQP-UHFFFAOYSA-N
XLogP3.14
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-3-penta-2,4-diynyloxirane?
The IUPAC name of 2-heptyl-3-penta-2,4-diynyloxirane (CID 73120919) is 2-heptyl-3-penta-2,4-diynyloxirane.
What is the SMILES notation for 2-heptyl-3-penta-2,4-diynyloxirane?
The canonical SMILES for 2-heptyl-3-penta-2,4-diynyloxirane is C#CC#CCC1OC1CCCCCCC.
What is the InChIKey of 2-heptyl-3-penta-2,4-diynyloxirane?
The InChIKey is CRSUKNCTBDUAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2,13-14H,3,5,7-8,10-12H2,1H3.
What are the key properties of 2-heptyl-3-penta-2,4-diynyloxirane?
2-heptyl-3-penta-2,4-diynyloxirane has a molecular weight of 204.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-3-penta-2,4-diynyloxirane is sourced from PubChem (CID 73120919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).