2,2-dimethyloxirane;naphthalene

C14H16O — CID 175358693

IUPAC2,2-dimethyloxirane;naphthalene
SMILESCC1(C)CO1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H8O/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2)3-5-4/h1-8H;3H2,1-2H3
InChIKeyDSHXXXBMRPSMNW-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.63
Rot. Bonds

About 2,2-dimethyloxirane;naphthalene

2,2-dimethyloxirane;naphthalene (PubChem CID 175358693) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethyloxirane;naphthalene.

Molecular Properties

Compound Name2,2-dimethyloxirane;naphthalene
PubChem CID175358693
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2,2-dimethyloxirane;naphthalene
SMILESCC1(C)CO1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H8O/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2)3-5-4/h1-8H;3H2,1-2H3
InChIKeyDSHXXXBMRPSMNW-UHFFFAOYSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.63
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

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CID 144512894
naphthalene
CID 10240860
naphthalene
CID 21288458
ethane;methylsulfanylmethane;naphthalene
CID 91049231
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2,2-dimethyloxirane;methanol
CID 161373463
methanamine;naphthalene
CID 19768161
(2S)-2-(2-chlorophenyl)-2-methyloxirane
CID 94591517
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
naphthalene;hydrate
CID 19828935
naphthalene;platinum
CID 160635011
chromium(3+);naphthalene
CID 159209740

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxirane;naphthalene?
The IUPAC name of 2,2-dimethyloxirane;naphthalene (CID 175358693) is 2,2-dimethyloxirane;naphthalene.
What is the SMILES notation for 2,2-dimethyloxirane;naphthalene?
The canonical SMILES for 2,2-dimethyloxirane;naphthalene is CC1(C)CO1.c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyloxirane;naphthalene?
The InChIKey is DSHXXXBMRPSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C4H8O/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2)3-5-4/h1-8H;3H2,1-2H3.
What are the key properties of 2,2-dimethyloxirane;naphthalene?
2,2-dimethyloxirane;naphthalene has a molecular weight of 200.28 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxirane;naphthalene is sourced from PubChem (CID 175358693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).