2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane

C18H26O — CID 83931797

IUPAC2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane
SMILESCCC(CC1OC1CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26O/c1-3-13(12-18-17(4-2)19-18)16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13,17-18H,3-8,12H2,1-2H3
InChIKeyXTVYMGJEMHVDDK-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.63
Rot. Bonds5

About 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane

2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane (PubChem CID 83931797) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane
PubChem CID83931797
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane
SMILESCCC(CC1OC1CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26O/c1-3-13(12-18-17(4-2)19-18)16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13,17-18H,3-8,12H2,1-2H3
InChIKeyXTVYMGJEMHVDDK-UHFFFAOYSA-N
XLogP4.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dichlorophenyl)butyl]-3-ethyloxirane
CID 83931298
6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 83931784
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
CID 83931825
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
2-[2-(2,5-difluorophenyl)butyl]-3-ethyloxirane
CID 83936121

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane?
The IUPAC name of 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane (CID 83931797) is 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane?
The canonical SMILES for 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane is CCC(CC1OC1CC)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane?
The InChIKey is XTVYMGJEMHVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-13(12-18-17(4-2)19-18)16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13,17-18H,3-8,12H2,1-2H3.
What are the key properties of 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane?
2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane has a molecular weight of 258.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane is sourced from PubChem (CID 83931797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).