2-(2,2-diethylpent-4-enyl)oxirane

C11H20O — CID 135036656

IUPAC2-(2,2-diethylpent-4-enyl)oxirane
SMILESC=CCC(CC)(CC)CC1CO1
InChIInChI=1S/C11H20O/c1-4-7-11(5-2,6-3)8-10-9-12-10/h4,10H,1,5-9H2,2-3H3
InChIKeyPIALAGWCNCPXAV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds6

About 2-(2,2-diethylpent-4-enyl)oxirane

2-(2,2-diethylpent-4-enyl)oxirane (PubChem CID 135036656) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,2-diethylpent-4-enyl)oxirane.

Molecular Properties

Compound Name2-(2,2-diethylpent-4-enyl)oxirane
PubChem CID135036656
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2,2-diethylpent-4-enyl)oxirane
SMILESC=CCC(CC)(CC)CC1CO1
InChIInChI=1S/C11H20O/c1-4-7-11(5-2,6-3)8-10-9-12-10/h4,10H,1,5-9H2,2-3H3
InChIKeyPIALAGWCNCPXAV-UHFFFAOYSA-N
XLogP3.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Dimethylbut-3-enyl)oxirane
CID 14680131
2-(2-Methylpent-4-en-2-yl)oxirane
CID 10772985
2-(2-Methylpent-4-enyl)oxirane
CID 59365101
2-(4-Propan-2-ylhepta-1,6-dien-4-yl)oxirane
CID 85987838
2-Methyl-1,2-epoxy-6-heptene
CID 10997038
2-Ethoxy-1,1-bis(prop-2-enyl)cyclopropane
CID 332841
2-(2-Methyl-2-prop-2-enylpent-4-enyl)oxirane
CID 86072221
2-(2-Ethylbut-3-enyl)oxirane
CID 18175685
6-(Methoxymethyl)-6-methylundeca-1,10-diene
CID 21966278
2-Methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane
CID 22712633
2-(2,2-Dimethylpent-4-enyl)-2-methyloxirane
CID 22712641
2-(2,2-Dimethylbut-3-enyl)-2-methyloxirane
CID 22712645

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethylpent-4-enyl)oxirane?
The IUPAC name of 2-(2,2-diethylpent-4-enyl)oxirane (CID 135036656) is 2-(2,2-diethylpent-4-enyl)oxirane.
What is the SMILES notation for 2-(2,2-diethylpent-4-enyl)oxirane?
The canonical SMILES for 2-(2,2-diethylpent-4-enyl)oxirane is C=CCC(CC)(CC)CC1CO1.
What is the InChIKey of 2-(2,2-diethylpent-4-enyl)oxirane?
The InChIKey is PIALAGWCNCPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-11(5-2,6-3)8-10-9-12-10/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 2-(2,2-diethylpent-4-enyl)oxirane?
2-(2,2-diethylpent-4-enyl)oxirane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethylpent-4-enyl)oxirane is sourced from PubChem (CID 135036656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).