2-non-8-enyloxirane

C11H20O — CID 86075301

IUPAC2-non-8-enyloxirane
SMILESC=CCCCCCCCC1CO1
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h2,11H,1,3-10H2
InChIKeyBUCRBRBWIKDPPZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds8

About 2-non-8-enyloxirane

2-non-8-enyloxirane (PubChem CID 86075301) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-non-8-enyloxirane.

Molecular Properties

Compound Name2-non-8-enyloxirane
PubChem CID86075301
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-non-8-enyloxirane
SMILESC=CCCCCCCCC1CO1
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h2,11H,1,3-10H2
InChIKeyBUCRBRBWIKDPPZ-UHFFFAOYSA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
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-oct-7-enyloxirane
CID 160591597
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-pent-4-enyl-1,4-dioxane
CID 174797521
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2-nonadec-10-enyloxirane
CID 54194145
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;tetradecane
CID 174899291

Frequently Asked Questions

What is the IUPAC name of 2-non-8-enyloxirane?
The IUPAC name of 2-non-8-enyloxirane (CID 86075301) is 2-non-8-enyloxirane.
What is the SMILES notation for 2-non-8-enyloxirane?
The canonical SMILES for 2-non-8-enyloxirane is C=CCCCCCCCC1CO1.
What is the InChIKey of 2-non-8-enyloxirane?
The InChIKey is BUCRBRBWIKDPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h2,11H,1,3-10H2.
What are the key properties of 2-non-8-enyloxirane?
2-non-8-enyloxirane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-enyloxirane is sourced from PubChem (CID 86075301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).