4-(but-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one

4-(but-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one

CAS: 13215-88-8

Formula: C13H18O

SMILES: CC=CC=C1C(C)=CC(=O)CC1(C)C

IUPAC: 4-(but-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one

InChI: InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3

Composition: C (82.06%), H (9.54%), O (8.41%)

Molar Mass: 190.286

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	190.1357652
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CBQXHTWJSZXYSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.96
Topological Polar Surface Area	17.07
Polarizability	23.33
Ring Count	1
Rotatable Bond Count	1

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