2-ethyl-3-methyl-2-pentyloxirane

C10H20O — CID 154091449

IUPAC2-ethyl-3-methyl-2-pentyloxirane
SMILESCCCCCC1(CC)OC1C
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(5-2)9(3)11-10/h9H,4-8H2,1-3H3
InChIKeyGQICKXRCZNGDLY-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds5

About 2-ethyl-3-methyl-2-pentyloxirane

2-ethyl-3-methyl-2-pentyloxirane (PubChem CID 154091449) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2-pentyloxirane.

Molecular Properties

Compound Name2-ethyl-3-methyl-2-pentyloxirane
PubChem CID154091449
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-ethyl-3-methyl-2-pentyloxirane
SMILESCCCCCC1(CC)OC1C
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(5-2)9(3)11-10/h9H,4-8H2,1-3H3
InChIKeyGQICKXRCZNGDLY-UHFFFAOYSA-N
XLogP3.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
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

azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
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(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
2-methyl-5,5-dipentyl-2H-furan
CID 21450092
N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
CID 20511389
3-ethyl-3-octyldioxirane
CID 89239410
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
hexyl 8-(2-ethyl-3-octyloxiran-2-yl)octanoate
CID 90813585
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468
2-methyl-3-pentyloxolan-3-ol
CID 82718337
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2-pentyloxirane?
The IUPAC name of 2-ethyl-3-methyl-2-pentyloxirane (CID 154091449) is 2-ethyl-3-methyl-2-pentyloxirane.
What is the SMILES notation for 2-ethyl-3-methyl-2-pentyloxirane?
The canonical SMILES for 2-ethyl-3-methyl-2-pentyloxirane is CCCCCC1(CC)OC1C.
What is the InChIKey of 2-ethyl-3-methyl-2-pentyloxirane?
The InChIKey is GQICKXRCZNGDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-8-10(5-2)9(3)11-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-2-pentyloxirane?
2-ethyl-3-methyl-2-pentyloxirane has a molecular weight of 156.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2-pentyloxirane is sourced from PubChem (CID 154091449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).