2-oct-7-enyloxirane

C20H36O2 — CID 160591597

IUPAC2-oct-7-enyloxirane
SMILESC=CCCCCCCC1CO1.C=CCCCCCCC1CO1
InChIInChI=1S/2C10H18O/c2*1-2-3-4-5-6-7-8-10-9-11-10/h2*2,10H,1,3-9H2
InChIKeyRDCCBWBSYUASPQ-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.82
Rot. Bonds14

About 2-oct-7-enyloxirane

2-oct-7-enyloxirane (PubChem CID 160591597) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-oct-7-enyloxirane.

Molecular Properties

Compound Name2-oct-7-enyloxirane
PubChem CID160591597
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-oct-7-enyloxirane
SMILESC=CCCCCCCC1CO1.C=CCCCCCCC1CO1
InChIInChI=1S/2C10H18O/c2*1-2-3-4-5-6-7-8-10-9-11-10/h2*2,10H,1,3-9H2
InChIKeyRDCCBWBSYUASPQ-UHFFFAOYSA-N
XLogP5.82
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-non-8-enyloxirane
CID 86075301
(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-oct-7-enyloxirane?
The IUPAC name of 2-oct-7-enyloxirane (CID 160591597) is 2-oct-7-enyloxirane.
What is the SMILES notation for 2-oct-7-enyloxirane?
The canonical SMILES for 2-oct-7-enyloxirane is C=CCCCCCCC1CO1.C=CCCCCCCC1CO1.
What is the InChIKey of 2-oct-7-enyloxirane?
The InChIKey is RDCCBWBSYUASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O/c2*1-2-3-4-5-6-7-8-10-9-11-10/h2*2,10H,1,3-9H2.
What are the key properties of 2-oct-7-enyloxirane?
2-oct-7-enyloxirane has a molecular weight of 308.51 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-7-enyloxirane is sourced from PubChem (CID 160591597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).