2-hexyl-2-propyloxirane

C11H22O — CID 139691135

IUPAC2-hexyl-2-propyloxirane
SMILESCCCCCCC1(CCC)CO1
InChIInChI=1S/C11H22O/c1-3-5-6-7-9-11(8-4-2)10-12-11/h3-10H2,1-2H3
InChIKeyOKDPYLCNAAGVHY-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds7

About 2-hexyl-2-propyloxirane

2-hexyl-2-propyloxirane (PubChem CID 139691135) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-hexyl-2-propyloxirane.

Molecular Properties

Compound Name2-hexyl-2-propyloxirane
PubChem CID139691135
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-hexyl-2-propyloxirane
SMILESCCCCCCC1(CCC)CO1
InChIInChI=1S/C11H22O/c1-3-5-6-7-9-11(8-4-2)10-12-11/h3-10H2,1-2H3
InChIKeyOKDPYLCNAAGVHY-UHFFFAOYSA-N
XLogP3.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
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'}

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Related Compounds

2-hexadecyl-2-tetradecyloxirane
CID 71421731
2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
[(2S)-2-tetradecyloxiran-2-yl]methanol
CID 11032940
[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465
2-(chloromethyl)-2-heptyloxirane
CID 86123992
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
2-fluoro-2-hexyloxirane
CID 21452195
2-methyl-2-pentyloxirane
CID 559073

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-propyloxirane?
The IUPAC name of 2-hexyl-2-propyloxirane (CID 139691135) is 2-hexyl-2-propyloxirane.
What is the SMILES notation for 2-hexyl-2-propyloxirane?
The canonical SMILES for 2-hexyl-2-propyloxirane is CCCCCCC1(CCC)CO1.
What is the InChIKey of 2-hexyl-2-propyloxirane?
The InChIKey is OKDPYLCNAAGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-9-11(8-4-2)10-12-11/h3-10H2,1-2H3.
What are the key properties of 2-hexyl-2-propyloxirane?
2-hexyl-2-propyloxirane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-propyloxirane is sourced from PubChem (CID 139691135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).