1,3-Dimethyl-5-ethyladamantane

HCID 519331
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
1687-35-0
Standard SMILES
CCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIKey
FTNPDAKMYKMVKB-UHFFFAOYSA-N
Molecular formula
C14H24
Average molar mass
192.34 g/mol
Monoisotopic mass
192.18780077

Names & identifiers

Preferred name
1,3-Dimethyl-5-ethyladamantane
IUPAC
1-ethyl-3,5-dimethyladamantane

Names & synonyms

1,3-Dimethyl-5-ethyladamantane5-Ethyl-1,3-dimethyladamantaneRefChem:218755FTNPDAKMYKMVKB-UHFFFAOYSA-N1-Ethyl-3,5-dimethyladamantane1687-35-0SCHEMBL19401531,3-Dimethyl-5-ethyl AdamantaneDTXSID7013374591-Ethyl-3,5-dimethyladamantane #

Database identifiers

CAS
1687-35-0
PubChem CID
519331
DTXSID
DTXSID701337459

Properties

Computed structural propertiesFilling in

XLogP
5.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1313；1279；1279；1291；1303；1313；1279；1279

1252；1263；1267；1276；1287；1263；1267；1276；1285；1321

1406；1421；1441

Related reactions

3 records
New reaction record

Compound notes

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