(2S)-2-non-4-ynyloxirane

C11H18O — CID 11228997

IUPAC(2S)-2-non-4-ynyloxirane
SMILESCCCCC#CCCC[C@H]1CO1
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h11H,2-4,7-10H2,1H3/t11-/m0/s1
InChIKeyMPJVXGUVYHCRAE-NSHDSACASA-N
MW166.26 g/mol
LogP2.75
Rot. Bonds5

About (2S)-2-non-4-ynyloxirane

(2S)-2-non-4-ynyloxirane (PubChem CID 11228997) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-non-4-ynyloxirane.

Molecular Properties

Compound Name(2S)-2-non-4-ynyloxirane
PubChem CID11228997
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-non-4-ynyloxirane
SMILESCCCCC#CCCC[C@H]1CO1
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h11H,2-4,7-10H2,1H3/t11-/m0/s1
InChIKeyMPJVXGUVYHCRAE-NSHDSACASA-N
XLogP2.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.75
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

(2R)-2-pentyloxirane
CID 11147691
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2S)-2-non-2-ynyloxirane
CID 12065674
2-butyloxirane;trimethylsilane
CID 174652516
ethene;2-hexadecyloxirane
CID 174880180
2-undeca-2,5-diynyloxirane
CID 156679856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-non-4-ynyloxirane?
The IUPAC name of (2S)-2-non-4-ynyloxirane (CID 11228997) is (2S)-2-non-4-ynyloxirane.
What is the SMILES notation for (2S)-2-non-4-ynyloxirane?
The canonical SMILES for (2S)-2-non-4-ynyloxirane is CCCCC#CCCC[C@H]1CO1.
What is the InChIKey of (2S)-2-non-4-ynyloxirane?
The InChIKey is MPJVXGUVYHCRAE-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h11H,2-4,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-non-4-ynyloxirane?
(2S)-2-non-4-ynyloxirane has a molecular weight of 166.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-non-4-ynyloxirane is sourced from PubChem (CID 11228997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).