(RS)-2-(2-buten-1-yl)-3,3,6-trimethyl-1-indanone

HCID 53745382
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Basic information

Standard SMILES
CC=CCC1C(=O)c2cc(C)ccc2C1(C)C
InChIKey
CXLXPIJWAAWWSZ-UHFFFAOYSA-N
Molecular formula
C16H20O
Average molar mass
228.33 g/mol
Monoisotopic mass
228.15141526

Names & identifiers

Preferred name
(RS)-2-(2-buten-1-yl)-3,3,6-trimethyl-1-indanone
IUPAC
2-but-2-enyl-3,3,6-trimethyl-2H-inden-1-one

Names & synonyms

SCHEMBL8600955CXLXPIJWAAWWSZ-UHFFFAOYSA-NDB-201844(RS)-2-(2-buten-1-yl)-3,3,6-trimethyl-1-indanone1H-inden-1-one, 2-(2-buten-1-yl)-2,3-dihydro-3,3,6-trimethyl-170495-05-3

Database identifiers

PubChem CID
53745382

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
17

Related reactions

3 records
New reaction record

Linked notes

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