2,2-dimethyl-3-naphthalen-1-yloxirane

C14H14O — CID 116864134

IUPAC2,2-dimethyl-3-naphthalen-1-yloxirane
SMILESCC1(C)OC1c1cccc2ccccc12
InChIInChI=1S/C14H14O/c1-14(2)13(15-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,1-2H3
InChIKeyXUVJXJAZFFETAE-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.69
Rot. Bonds1

About 2,2-dimethyl-3-naphthalen-1-yloxirane

2,2-dimethyl-3-naphthalen-1-yloxirane (PubChem CID 116864134) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-naphthalen-1-yloxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-naphthalen-1-yloxirane
PubChem CID116864134
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name2,2-dimethyl-3-naphthalen-1-yloxirane
SMILESCC1(C)OC1c1cccc2ccccc12
InChIInChI=1S/C14H14O/c1-14(2)13(15-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,1-2H3
InChIKeyXUVJXJAZFFETAE-UHFFFAOYSA-N
XLogP3.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-naphthalen-1-yloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-trimethylbutan-2-yl 2-methyl-3-naphthalen-1-yloxirane-2-carboxylate
CID 122399857
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
CID 175297840
3-methyl-2-naphthalen-1-yl-2H-azirine
CID 11217607
(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
CID 71348739
5-naphthalen-1-yl-5H-tetrazole
CID 174663110
5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
CID 66107850
[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate
CID 46189613
[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 57164696
1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene
CID 101201451
cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
CID 11184053
3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one
CID 71420550

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-naphthalen-1-yloxirane?
The IUPAC name of 2,2-dimethyl-3-naphthalen-1-yloxirane (CID 116864134) is 2,2-dimethyl-3-naphthalen-1-yloxirane.
What is the SMILES notation for 2,2-dimethyl-3-naphthalen-1-yloxirane?
The canonical SMILES for 2,2-dimethyl-3-naphthalen-1-yloxirane is CC1(C)OC1c1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-3-naphthalen-1-yloxirane?
The InChIKey is XUVJXJAZFFETAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-14(2)13(15-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,1-2H3.
What are the key properties of 2,2-dimethyl-3-naphthalen-1-yloxirane?
2,2-dimethyl-3-naphthalen-1-yloxirane has a molecular weight of 198.27 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-naphthalen-1-yloxirane is sourced from PubChem (CID 116864134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).