2-nonadec-10-enyloxirane

C21H40O — CID 54194145

IUPAC2-nonadec-10-enyloxirane
SMILESCCCCCCCCC=CCCCCCCCCCC1CO1
InChIInChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-22-21/h9-10,21H,2-8,11-20H2,1H3
InChIKeyJNKYBIOJJMMPST-UHFFFAOYSA-N
MW308.55 g/mol
LogP7.20
Rot. Bonds17

About 2-nonadec-10-enyloxirane

2-nonadec-10-enyloxirane (PubChem CID 54194145) has the molecular formula C21H40O and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-nonadec-10-enyloxirane.

Molecular Properties

Compound Name2-nonadec-10-enyloxirane
PubChem CID54194145
Molecular FormulaC21H40O
Molecular Weight308.55 g/mol
Exact Mass308.31
IUPAC Name2-nonadec-10-enyloxirane
SMILESCCCCCCCCC=CCCCCCCCCCC1CO1
InChIInChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-22-21/h9-10,21H,2-8,11-20H2,1H3
InChIKeyJNKYBIOJJMMPST-UHFFFAOYSA-N
XLogP7.20
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-octadec-9-enyloxirane;phosphoric acid
CID 173288867
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
2-[(E)-oct-3-enyl]oxirane
CID 58906870
ethene;2-hexadecyloxirane
CID 174880180
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;2-octadecyloxirane
CID 174419582

Frequently Asked Questions

What is the IUPAC name of 2-nonadec-10-enyloxirane?
The IUPAC name of 2-nonadec-10-enyloxirane (CID 54194145) is 2-nonadec-10-enyloxirane.
What is the SMILES notation for 2-nonadec-10-enyloxirane?
The canonical SMILES for 2-nonadec-10-enyloxirane is CCCCCCCCC=CCCCCCCCCCC1CO1.
What is the InChIKey of 2-nonadec-10-enyloxirane?
The InChIKey is JNKYBIOJJMMPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-22-21/h9-10,21H,2-8,11-20H2,1H3.
What are the key properties of 2-nonadec-10-enyloxirane?
2-nonadec-10-enyloxirane has a molecular weight of 308.55 g/mol, XLogP of 7.20, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonadec-10-enyloxirane is sourced from PubChem (CID 54194145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).