2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane

C14H28O2 — CID 123987895

IUPAC2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane
SMILESCCC(CCC(C)CC1OC1OC)C(C)C
InChIInChI=1S/C14H28O2/c1-6-12(10(2)3)8-7-11(4)9-13-14(15-5)16-13/h10-14H,6-9H2,1-5H3
InChIKeySAXOITUHYHAHOW-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.85
Rot. Bonds8

About 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane

2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane (PubChem CID 123987895) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane.

Molecular Properties

Compound Name2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane
PubChem CID123987895
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane
SMILESCCC(CCC(C)CC1OC1OC)C(C)C
InChIInChI=1S/C14H28O2/c1-6-12(10(2)3)8-7-11(4)9-13-14(15-5)16-13/h10-14H,6-9H2,1-5H3
InChIKeySAXOITUHYHAHOW-UHFFFAOYSA-N
XLogP3.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,6,9-trimethyldecane
CID 91256736
8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
(2R,3R,4S,5S,6R)-2-(3-ethyl-4-methylpentoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102478836
6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
CID 174299611
ethane;2-methyl-3-(2-methylbutyl)oxirane
CID 143374675
(3R)-3-ethyl-2-methylhexane
CID 59954424
3-ethyl-1-ethylsulfanyl-4-methylpentane
CID 167199867
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162910983
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
2-(2,3-dimethylpentyl)-3-ethyloxirane
CID 131972305
2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
CID 139912968

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane?
The IUPAC name of 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane (CID 123987895) is 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane.
What is the SMILES notation for 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane?
The canonical SMILES for 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane is CCC(CCC(C)CC1OC1OC)C(C)C.
What is the InChIKey of 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane?
The InChIKey is SAXOITUHYHAHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-12(10(2)3)8-7-11(4)9-13-14(15-5)16-13/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane?
2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane has a molecular weight of 228.38 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane is sourced from PubChem (CID 123987895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).